Chemical Properties of Calamenen-9-ol

Calamenen-9-ol

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InChI
InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h5-7,9,11,14-16H,8H2,1-4H3/t11-,14?,15+/m1/s1
InChI Key
HTPALWBCPQXQBN-QTWGFKIWSA-N
Formula
C15H22O
SMILES
Cc1ccc2c(c1)C(C(C)C)C(O)CC2C
Molecular Weight1
218.33
Sources

Physical Properties

Property Value Unit Source
Δf 62.54 kJ/mol Joback Calculated Property
Δfgas -270.89 kJ/mol Joback Calculated Property
Δfus 26.61 kJ/mol Joback Calculated Property
Δvap 68.34 kJ/mol Joback Calculated Property
logPoct/wat 3.60 Crippen Calculated Property
Pc 2127.56 kPa Joback Calculated Property
Tboil 672.65 K Joback Calculated Property
Tc 876.14 K Joback Calculated Property
Tfus 362.03 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 553.03 J/mol×K 672.65 Joback Calculated Property
η 0.00 Pa×s 672.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

14-hydroxy-calamenene. Calamenene. Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-. Calamenene II. (E)-Calamenene. «alpha»-Calamenene. 1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl) naphthalene. trans-Calamenene. Calamenene I. trans-Calamenene. calamenene (1-S,cis). (-)-trans-Calamenene. 1R-trans-calamenene. cis-Calamenene. isocalamenene.

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