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2Â¥2010-04-23 18:20:53
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3Â¥2010-04-23 18:32:28
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Predicted Property Values Registry Number: 2016-42-4 Formula: C14 H31 N CA Index Name: 1-Tetradecanamine Property Value Condition Note Bioconcentration 26.0 pH 1 (15) Factor Temp: 25 °C Bioconcentration 26.0 pH 2 (15) Factor Temp: 25 °C Bioconcentration 26.0 pH 3 (15) Factor Temp: 25 °C Bioconcentration 26.0 pH 4 (15) Factor Temp: 25 °C Bioconcentration 26.0 pH 5 (15) Factor Temp: 25 °C Bioconcentration 26.7 pH 6 (15) Factor Temp: 25 °C Bioconcentration 33.0 pH 7 (15) Factor Temp: 25 °C Bioconcentration 95.7 pH 8 (15) Factor Temp: 25 °C Bioconcentration 709 pH 9 (15) Factor Temp: 25 °C Bioconcentration 5780 pH 10 (15) Factor Temp: 25 °C Boiling Point 291.9?.0 °C Press: 760 Torr (15) Carbon-13 NMR See spectrum (16) Spectrum Density 0.810?.06 g/cm3 Temp: 20 °C (15) Press: 760 Torr Enthalpy of 53.14?.0 kJ/mol Press: 760 Torr (15) Vaporization Flash Point 120.2?3.1 °C (15) Freely Rotatable Bonds 13 (15) H Acceptors 1 (15) H Donors 2 (15) H Donor/Acceptor Sum 3 (15) Koc 47.1 pH 1 (15) Temp: 25 °C Koc 47.1 pH 2 (15) Temp: 25 °C Koc 47.1 pH 3 (15) Temp: 25 °C Koc 47.1 pH 4 (15) Temp: 25 °C Koc 47.2 pH 5 (15) Temp: 25 °C Koc 48.4 pH 6 (15) Temp: 25 °C Koc 59.8 pH 7 (15) Temp: 25 °C Koc 173 pH 8 (15) Temp: 25 °C Koc 1290 pH 9 (15) Temp: 25 °C Koc 10500 pH 10 (15) Temp: 25 °C logD 3.14 pH 1 (15) Temp: 25 °C logD 3.14 pH 2 (15) Temp: 25 °C logD 3.14 pH 3 (15) Temp: 25 °C logD 3.14 pH 4 (15) Temp: 25 °C logD 3.14 pH 5 (15) Temp: 25 °C logD 3.15 pH 6 (15) Temp: 25 °C logD 3.25 pH 7 (15) Temp: 25 °C logD 3.71 pH 8 (15) Temp: 25 °C logD 4.58 pH 9 (15) Temp: 25 °C logD 5.49 pH 10 (15) Temp: 25 °C logP 6.243?.184 Temp: 25 °C (15) Mass Intrinsic Solubility Sparingly Soluble Temp: 25 °C (15) (8.3E-3 g/L) Mass Solubility Soluble (11 g/L) pH 1 (15) Temp: 25 °C Mass Solubility Soluble (11 g/L) pH 2 (15) Temp: 25 °C Mass Solubility Soluble (11 g/L) pH 3 (15) Temp: 25 °C Mass Solubility Soluble (11 g/L) pH 4 (15) Temp: 25 °C Mass Solubility Soluble (10 g/L) pH 5 (15) Temp: 25 °C Mass Solubility Soluble (10 g/L) pH 6 (15) Temp: 25 °C Mass Solubility Slightly Soluble pH 7 (15) (8.3 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 8 (15) (2.8 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 9 (15) (0.38 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 10 (15) (0.047 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble Unbuffered (15) (0.043 g/L) Water pH 10.05 Temp: 25 °C Molar Intrinsic Sparingly Soluble Temp: 25 °C (15) Solubility (3.9E-5 mol/L) Molar Solubility Slightly Soluble pH 1 (15) (0.050 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 2 (15) (0.050 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 3 (15) (0.050 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 4 (15) (0.050 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 5 (15) (0.049 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 6 (15) (0.048 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 7 (15) (0.039 mol/L) Temp: 25 °C Molar Solubility Slightly Soluble pH 8 (15) (0.013 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 9 (15) (1.8E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 10 (15) (2.2E-4 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble Unbuffered (15) (2.0E-4 mol/L) Water pH 10.05 Temp: 25 °C Molar Volume 263.3?.0 cm3/mol Temp: 20 °C (15) Press: 760 Torr Molecular Weight 213.40 (15) pKa 10.67?.10 Most Basic (15) Temp: 25 °C Polar Surface Area 26.0 A2 (15) Proton NMR Spectrum See spectrum (16) Vapor Pressure 1.89E-3 Torr Temp: 25 °C (15) Predicted Property Values Registry Number: 143-27-1 Formula: C16 H35 N CA Index Name: 1-Hexadecanamine Property Value Condition Note Bioconcentration 167 pH 1 (31) Factor Temp: 25 °C Bioconcentration 167 pH 2 (31) Factor Temp: 25 °C Bioconcentration 167 pH 3 (31) Factor Temp: 25 °C Bioconcentration 167 pH 4 (31) Factor Temp: 25 °C Bioconcentration 167 pH 5 (31) Factor Temp: 25 °C Bioconcentration 171 pH 6 (31) Factor Temp: 25 °C Bioconcentration 212 pH 7 (31) Factor Temp: 25 °C Bioconcentration 615 pH 8 (31) Factor Temp: 25 °C Bioconcentration 4560 pH 9 (31) Factor Temp: 25 °C Bioconcentration 37100 pH 10 (31) Factor Temp: 25 °C Boiling Point 321.8?.0 °C Press: 760 Torr (31) Carbon-13 NMR See spectrum (32) Spectrum Density 0.814?.06 g/cm3 Temp: 20 °C (31) Press: 760 Torr Enthalpy of 56.36?.0 kJ/mol Press: 760 Torr (31) Vaporization Flash Point 140.6?.0 °C (31) Freely Rotatable Bonds 15 (31) H Acceptors 1 (31) H Donors 2 (31) H Donor/Acceptor Sum 3 (31) Koc 178 pH 1 (31) Temp: 25 °C Koc 178 pH 2 (31) Temp: 25 °C Koc 178 pH 3 (31) Temp: 25 °C Koc 178 pH 4 (31) Temp: 25 °C Koc 179 pH 5 (31) Temp: 25 °C Koc 183 pH 6 (31) Temp: 25 °C Koc 226 pH 7 (31) Temp: 25 °C Koc 657 pH 8 (31) Temp: 25 °C Koc 4870 pH 9 (31) Temp: 25 °C Koc 39700 pH 10 (31) Temp: 25 °C logD 4.21 pH 1 (31) Temp: 25 °C logD 4.21 pH 2 (31) Temp: 25 °C logD 4.21 pH 3 (31) Temp: 25 °C logD 4.21 pH 4 (31) Temp: 25 °C logD 4.21 pH 5 (31) Temp: 25 °C logD 4.22 pH 6 (31) Temp: 25 °C logD 4.31 pH 7 (31) Temp: 25 °C logD 4.77 pH 8 (31) Temp: 25 °C logD 5.64 pH 9 (31) Temp: 25 °C logD 6.55 pH 10 (31) Temp: 25 °C logP 7.306?.184 Temp: 25 °C (31) Mass Intrinsic Solubility Sparingly Soluble Temp: 25 °C (31) (1.7E-3 g/L) Mass Solubility Slightly Soluble pH 1 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 2 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 3 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 4 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 5 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 6 (31) (2.1 g/L) Temp: 25 °C Mass Solubility Slightly Soluble pH 7 (31) (1.7 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 8 (31) (0.58 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 9 (31) (0.077 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 10 (31) (9.4E-3 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble Unbuffered (31) (0.029 g/L) Water pH 9.47 Temp: 25 °C Molar Intrinsic Sparingly Soluble Temp: 25 °C (31) Solubility (6.9E-6 mol/L) Molar Solubility Sparingly Soluble pH 1 (31) (8.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 2 (31) (8.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 3 (31) (8.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 4 (31) (8.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 5 (31) (8.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 6 (31) (8.5E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 7 (31) (6.9E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 8 (31) (2.4E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 9 (31) (3.2E-4 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 10 (31) (3.9E-5 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble Unbuffered (31) (1.2E-4 mol/L) Water pH 9.47 Temp: 25 °C Molar Volume 296.3?.0 cm3/mol Temp: 20 °C (31) Press: 760 Torr Molecular Weight 241.46 (31) pKa 10.67?.10 Most Basic (31) Temp: 25 °C Polar Surface Area 26.0 A2 (31) Proton NMR Spectrum See spectrum (32) Vapor Pressure 2.90E-4 Torr Temp: 25 °C (31) Predicted Property Values Registry Number: 124-30-1 Formula: C18 H39 N CA Index Name: 1-Octadecanamine Property Value Condition Note Bioconcentration 1070 pH 1 (38) Factor Temp: 25 °C Bioconcentration 1070 pH 2 (38) Factor Temp: 25 °C Bioconcentration 1070 pH 3 (38) Factor Temp: 25 °C Bioconcentration 1070 pH 4 (38) Factor Temp: 25 °C Bioconcentration 1070 pH 5 (38) Factor Temp: 25 °C Bioconcentration 1100 pH 6 (38) Factor Temp: 25 °C Bioconcentration 1360 pH 7 (38) Factor Temp: 25 °C Bioconcentration 3950 pH 8 (38) Factor Temp: 25 °C Bioconcentration 29300 pH 9 (38) Factor Temp: 25 °C Bioconcentration 2.38E5 pH 10 (38) Factor Temp: 25 °C Boiling Point 348.9?.0 °C Press: 760 Torr (38) Carbon-13 NMR See spectrum (39) Spectrum Density 0.818?.06 g/cm3 Temp: 20 °C (38) Press: 760 Torr Enthalpy of 59.33?.0 kJ/mol Press: 760 Torr (38) Vaporization Flash Point 154.1?3.6 °C (38) Freely Rotatable Bonds 17 (38) H Acceptors 1 (38) H Donors 2 (38) H Donor/Acceptor Sum 3 (38) Koc 675 pH 1 (38) Temp: 25 °C Koc 675 pH 2 (38) Temp: 25 °C Koc 675 pH 3 (38) Temp: 25 °C Koc 675 pH 4 (38) Temp: 25 °C Koc 676 pH 5 (38) Temp: 25 °C Koc 693 pH 6 (38) Temp: 25 °C Koc 856 pH 7 (38) Temp: 25 °C Koc 2490 pH 8 (38) Temp: 25 °C Koc 18500 pH 9 (38) Temp: 25 °C Koc 1.50E5 pH 10 (38) Temp: 25 °C logD 5.27 pH 1 (38) Temp: 25 °C logD 5.27 pH 2 (38) Temp: 25 °C logD 5.27 pH 3 (38) Temp: 25 °C logD 5.27 pH 4 (38) Temp: 25 °C logD 5.27 pH 5 (38) Temp: 25 °C logD 5.28 pH 6 (38) Temp: 25 °C logD 5.37 pH 7 (38) Temp: 25 °C logD 5.83 pH 8 (38) Temp: 25 °C logD 6.70 pH 9 (38) Temp: 25 °C logD 7.62 pH 10 (38) Temp: 25 °C logP 8.369?.184 Temp: 25 °C (38) Mass Intrinsic Solubility Sparingly Soluble Temp: 25 °C (38) (3.5E-4 g/L) Mass Solubility Sparingly Soluble pH 1 (38) (0.46 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 2 (38) (0.46 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 3 (38) (0.46 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 4 (38) (0.46 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 5 (38) (0.43 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 6 (38) (0.43 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 7 (38) (0.35 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 8 (38) (0.12 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 9 (38) (0.016 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble pH 10 (38) (2.0E-3 g/L) Temp: 25 °C Mass Solubility Sparingly Soluble Unbuffered (38) (0.022 g/L) Water pH 8.87 Temp: 25 °C Molar Intrinsic Sparingly Soluble Temp: 25 °C (38) Solubility (1.3E-6 mol/L) Molar Solubility Sparingly Soluble pH 1 (38) (1.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 2 (38) (1.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 3 (38) (1.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 4 (38) (1.7E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 5 (38) (1.6E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 6 (38) (1.6E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 7 (38) (1.3E-3 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 8 (38) (4.5E-4 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 9 (38) (6.0E-5 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble pH 10 (38) (7.4E-6 mol/L) Temp: 25 °C Molar Solubility Sparingly Soluble Unbuffered (38) (8.1E-5 mol/L) Water pH 8.87 Temp: 25 °C Molar Volume 329.3?.0 cm3/mol Temp: 20 °C (38) Press: 760 Torr Molecular Weight 269.51 (38) pKa 10.67?.10 Most Basic (38) Temp: 25 °C Polar Surface Area 26.0 A2 (38) Proton NMR Spectrum See spectrum (39) Vapor Pressure 4.88E-5 Torr Temp: 25 °C (38) Notes: (38) Calculated using Advanced Chemistry Development (ACD/Labs) Software V8.14 ( 1994-2010 ACD/Labs) (39) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V9.07 ( 1994-2010 ACD/Labs) Database: REGISTRY |
4Â¥2010-04-23 18:38:06
ÄãÐÄ
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- ½ð±Ò: 783.9
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- ºì»¨: 1
- Ìû×Ó: 42
- ÔÚÏß: 6.7Сʱ
- ³æºÅ: 808036
- ×¢²á: 2009-07-13
5Â¥2010-04-24 12:03:32
jiaochunyan1
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- É¢½ð: 369
- ºì»¨: 4
- Ìû×Ó: 704
- ÔÚÏß: 127.7Сʱ
- ³æºÅ: 882474
- ×¢²á: 2009-10-24
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6Â¥2010-04-24 16:54:24
p1102060317
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- Ìû×Ó: 595
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7Â¥2010-04-25 18:36:14














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