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Predicted Property Values Registry Number: 709-66-0 _ Formula: C8 H4 Cl3 N O CA Index Name: Benzene, 1-isocyanato-4-(trichloromethyl)- Property Value Condition Note Bioconcentration 387 pH 1 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 2 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 3 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 4 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 5 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 6 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 7 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 8 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 9 (2) Factor Temp: 25 癈 Bioconcentration 387 pH 10 (2) Factor Temp: 25 癈 Boiling Point 284.5?0.0 癈 Press: 760 Torr (2) Density 1.40?.1 g/cm3 Temp: 20 癈 (2) Press: 760 Torr Enthalpy of 52.35?.0 kJ/mol Press: 760 Torr (2) Vaporization Flash Point 102.1?6.6 癈 (2) Freely Rotatable Bonds 1 (2) H Acceptors 2 (2) H Donors 0 (2) H Donor/Acceptor Sum 2 (2) Koc 2480 pH 1 (2) Temp: 25 癈 Koc 2480 pH 2 (2) Temp: 25 癈 Koc 2480 pH 3 (2) Temp: 25 癈 Koc 2480 pH 4 (2) Temp: 25 癈 Koc 2480 pH 5 (2) Temp: 25 癈 Koc 2480 pH 6 (2) Temp: 25 癈 Koc 2480 pH 7 (2) Temp: 25 癈 Koc 2480 pH 8 (2) Temp: 25 癈 Koc 2480 pH 9 (2) Temp: 25 癈 Koc 2480 pH 10 (2) Temp: 25 癈 logD 3.71 pH 1 (2) Temp: 25 癈 logD 3.71 pH 2 (2) Temp: 25 癈 logD 3.71 pH 3 (2) Temp: 25 癈 logD 3.71 pH 4 (2) Temp: 25 癈 logD 3.71 pH 5 (2) Temp: 25 癈 logD 3.71 pH 6 (2) Temp: 25 癈 logD 3.71 pH 7 (2) Temp: 25 癈 logD 3.71 pH 8 (2) Temp: 25 癈 logD 3.71 pH 9 (2) Temp: 25 癈 logD 3.71 pH 10 (2) Temp: 25 癈 logP 3.707?.652 Temp: 25 癈 (2) Mass Intrinsic Solubility Sparingly Soluble Temp: 25 癈 (2) (0.085 g/L) Mass Solubility Sparingly Soluble pH 1 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 2 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 3 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 4 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 5 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 6 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 7 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 8 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 9 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble pH 10 (2) (0.085 g/L) Temp: 25 癈 Mass Solubility Sparingly Soluble Unbuffered (2) (0.085 g/L) Water pH 7.00 Temp: 25 癈 Molar Intrinsic Sparingly Soluble Temp: 25 癈 (2) Solubility (3.6E-4 mol/L) Molar Solubility Sparingly Soluble pH 1 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 2 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 3 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 4 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 5 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 6 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 7 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 8 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 9 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble pH 10 (2) (3.6E-4 mol/L) Temp: 25 癈 Molar Solubility Sparingly Soluble Unbuffered (2) (3.6E-4 mol/L) Water pH 7.00 Temp: 25 癈 Molar Volume 168.1?.0 cm3/mol Temp: 20 癈 (2) Press: 760 Torr Molecular Weight 236.48 (2) Polar Surface Area 29.4 A2 (2) Proton NMR Spectrum See spectrum (3) Vapor Pressure 2.97E-3 Torr Temp: 25 癈 (2) Notes: (2) Calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04 for Solaris ( 1994-2009 ACD/Labs) (3) Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software V9.07 ( 1994-2009 ACD/Labs) Database: REGISTRY |
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