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303855919

铁虫 (小有名气)

[交流] 求助一个化合无的合成和性质 有效期至2008年8月8日


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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199003326

木虫 (正式写手)

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
最近穷疯了,没钱买大饼吃,只好啃馒头;想吃大饼了,就把馒头拍扁......
3楼2008-07-09 17:43:12
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guard_lk

木虫 (正式写手)


303855919(金币+1,VIP+0):谢谢
这个应该是黄酮类化合物的一种吧,有酚羟基在应该是比较容易被氧化的(个人意见,仅供参考)
[img]http://www.d500.com.cn/png/2008_4_18/20080418033333_40375.d500/Ooopsy%20Bear%20.png[img]
2楼2008-07-09 15:11:50
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春天来了518

金虫 (小有名气)

这篇应该可以

★ ★ ★ ★
303855919(金币+4,VIP+0):很好,相间恨晚
4楼2008-07-15 14:56:57
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