vapor density
~3 (vs air)
vapor pressure
256 mmHg ( 37.7 °C), 5.2 psi ( 37.7 °C), ~132 mmHg ( 20 °C)
autoignition temp.
453 °F
expl. lim.
7.7 %
refractive index
n20/D 1.375 (lit.)
bp
69 °C (lit.)
mp
−95 °C (lit.)
density
0.659 g/mL at 25 °C (lit.)
SMILES string
CCCCCC
InChI
1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI key
VLKZOEOYAKHREP-UHFFFAOYSA-N
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Andrew M Bailey et al.
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Salmonella enterica serovar Typhimurium SL1344, in which efflux pump genes (acrB, acrD, acrF, tolC) or regulatory genes thereof (marA, soxS, ramA) were inactivated, was grown in the presence of 240 antimicrobial and nonantimicrobial agents in the Biolog Phenotype MicroArray. Mutants
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
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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