蒸汽密度
2.55 (vs air)
蒸汽压
8 mmHg ( 20 °C)
8.8 mmHg ( 0 °C)
等级
purum
方案
≥99.0% (GC)
自燃温度
801 °F
expl. lim.
10.6 %
折射率
n20/D 1.396 (lit.)
n20/D 1.396
沸点
108 °C (lit.)
mp
−108 °C (lit.)
密度
0.803 g/mL at 25 °C (lit.)
SMILES字符串
CC(C)CO
InChI
1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChI key
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
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Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in
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