Chemical Properties of Atracylenolid

Atracylenolid

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InChI
InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h5,9-10,13-14,16H,6-8H2,1-4H3/t13-,14+,15?/m0/s1
InChI Key
YNLHYEKVZRPZOZ-SNTRVMSOSA-N
Formula
C15H24O
SMILES
CC1=CC2C(C(C)C)CC=C(C)C2(O)CC1
Molecular Weight1
220.35
Sources

Physical Properties

Property Value Unit Source
Δf 36.72 kJ/mol Joback Calculated Property
Δfgas -301.96 kJ/mol Joback Calculated Property
Δfus 19.48 kJ/mol Joback Calculated Property
Δvap 66.24 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 2175.46 kPa Joback Calculated Property
Tboil 668.75 K Joback Calculated Property
Tc 876.49 K Joback Calculated Property
Tfus 372.65 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 572.81 J/mol×K 668.75 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Muurola-4,10(14)-dien-1.beta.-ol. Muurola-4,10(14)-dien-1«beta»-ol. Cadina-«alpha»-4,10(14)-dien-1«alpha»-ol. Muurola-4,10(14)-dien-1-ol. (+)-(1R,6S,7S,10S)-7.beta.-Hydroxyamorpha-4,11-diene. DEHYDROXY-ISOCALAMENDIOL. Guaia-6,10(14)-dien-4«beta»-ol. Alismol. 1«alpha»,5«beta»H-Guaia-6,10(14)-dien-4«beta»-ol. Alismol. Guaia-6,10(14)-dien-4-«beta»-ol. Guaia-6,10(14)-diene-4«beta»-ol. Guaia-10(14),6-dien-4-ol. Guaia-6,9-dien-4.beta.-ol. Amorpha-4,9-dien-2«alpha»-ol.

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