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求助一个化合无的合成和性质 有效期至2008年8月8日
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 制备，还有他的性质，容易氧化吗 谁能找到它的cas号啊 [ Last edited by 303855919 on 2008-7-15 at 15:42 ] |
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guard_lk
木虫 (正式写手)
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2楼2008-07-09 15:11:50
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木虫 (正式写手)
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Chemical Formula: C14H12O2 Exact Mass: 212.08 Molecular Weight: 212.24 m/z: 212.08 (100.0%), 213.09 (15.4%), 214.09 (1.5%) Elemental Analysis: C, 79.22; H, 5.70; O, 15.08 *** Physical Property Report Generated By CS ChemProp *** ************************************************************************ Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p) ************************************************************************ Log(p)........: 3.41 St..deviation.: 0.47 by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987). Log(p)........: 3.59 St..deviation.: 0.49 by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989). Estimation using Broto's fragmentation method Log(p)........: 3.00 St..deviation.: 0.27 by Broto's method: Eur.J.Med.Chem.- Chim.Theor.,19,71(1984). ************************************************************************ Estimation of Molar Refractivity ************************************************************************ MR............: 64.02 [cm.cm.cm/mol] St..deviation.: 1.27 by Crippen's fragmentation: J.Chem.Inf.Comput.Sci.,27,21(1987). MR............: 62.86 [cm.cm.cm/mol] St..deviation.: 0.77 by Viswanadhan's fragmentation: J.Chem.Inf.Comput.Sci.,29,163(1989). ************************************************************************ Estimation of Henry's Constant (H) ************************************************************************ 1. method: H = 10.066 log[unitless] Estimation of mean error..: 0.340 2. method: The Method is not usable for this type of molecule. Two or more polar groups is in the compound. ************************************************************************ Estimation of the Boiling and Freezing points. ************************************************************************ Normal Boiling Point [p=1atm]: 640.96 [K] Standard Error: 20.400 [K] Joback fragmentation method modified by S.E. Stein Normal Boiling Point [p=1atm]: 751.62 [K] Standard Error: Error was not estimated. Joback fragmentation method Freezing Point [p=1atm]: 574.06 [K] Standard Error: 25.000 [K] Joback fragmentation method ************************************************************************ Estimation of the Critical properties. ************************************************************************ Critical Temperature: 867.70 [K] Standard Error: Error was not estimated. Joback fragmentation method Critical Pressure: 44.802 [bar] Standard Error: Error was not estimated. Joback fragmentation method Critical Volume: 601.50 [cm.cm.cm/mol] Standard Error: Error was not estimated. Joback fragmentation method ************************************************************************ Estimation of the Thermodynamics properties ************************************************************************ Heat of Formation [T=298.15K, p=1atm]: -137.49 [kJ/mol] Standard Error: Error was not estimated. Joback fragmentation method Gibbs Energy [T=298.15K, p=1atm]: 43.880 [kJ/mol] Standard Error: Error was not estimated. Joback fragmentation method Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 226.91 [J/(mol.K)] Standard Error: Error was not estimated. Joback fragmentation method |
3楼2008-07-09 17:43:12
这篇应该可以
★ ★ ★ ★
303855919(金币+4,VIP+0):很好，相间恨晚
303855919(金币+4,VIP+0):很好，相间恨晚
4楼2008-07-15 14:56:57
