Chemical Properties of «alpha»-Chenopodiol (CAS 67996-31-0)

«alpha»-Chenopodiol

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InChI
InChI=1S/C15H26O2/c1-10-6-5-8-15(4)9-7-11(14(2,3)17)13(16)12(10)15/h6,11-13,16-17H,5,7-9H2,1-4H3
InChI Key
LBZDGNDASDARLL-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC1=CCCC2(C)CCC(C(C)(C)O)C(O)C12
Molecular Weight1
238.37
CAS
67996-31-0
Sources

Physical Properties

Property Value Unit Source
Δf -122.86 kJ/mol Joback Calculated Property
Δfgas -524.31 kJ/mol Joback Calculated Property
Δfus 19.91 kJ/mol Joback Calculated Property
Δvap 80.74 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 2278.41 kPa Joback Calculated Property
Tboil 749.33 K Joback Calculated Property
Tc 950.18 K Joback Calculated Property
Tfus 433.37 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 668.65 J/mol×K 749.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 1
-OH (alcohol) 2
=C< (ring) 1
>C< 1
>C< (ring) 1
-CH3 4
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

Selina-3,11-dien-6.alpha.-ol. (+)-(5S,7S,8S,10S)-8«alpha»-Hydroxyeudesma-3,11-diene. (+)-8«alpha»-Hydroxy-eudesma-3,11-diene. Eudesm-6-en-4«beta»-ol. Eudesm-6-en-4 «alpha»-ol. Selin-6-en-4«alpha»-ol. Selina-6-en-4-ol. Eudesm-6-en-1.beta.,4.beta.-diol (Isoplodiol). trans-Chrysanthenol. (Z)-Chrysanthenole. cis-Chrysanthenol. cis-chrysantheol. Jaeschkeanadiol. 5-Pregnene-3«beta»,20«alpha»,21-triol. 5-Pregnene-3«beta»,20«beta»,21-triol.

Find more compounds similar to «alpha»-Chenopodiol.

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