Chemical Properties of «alpha»-Calamenene

«alpha»-Calamenene

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InChI
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
InChI Key
PGTJIOWQJWHTJJ-STQMWFEESA-N
Formula
C15H22
SMILES
Cc1ccc2c(c1)C(C(C)C)CCC2C
Molecular Weight1
202.34
Sources

Physical Properties

Property Value Unit Source
Δf 207.07 kJ/mol Joback Calculated Property
Δfgas -98.32 kJ/mol Joback Calculated Property
Δfus 21.45 kJ/mol Joback Calculated Property
Δvap 51.97 kJ/mol Joback Calculated Property
logPoct/wat 4.632 Crippen Calculated Property
Pc 2016.32 kPa Joback Calculated Property
Tboil 585.14 K Joback Calculated Property
Tc 803.63 K Joback Calculated Property
Tfus 305.45 K Joback Calculated Property
Vc 0.710 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 482.92 J/mol×K 585.14 Joback Calculated Property
η 0.0003050 Pa×s 585.14 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,2,3,4-Tetrahydro-1,6-dimethyl-4-(1-methylethyl) naphthalene. trans-Calamenene. (-)-trans-Calamenene. Calamenene. cis-Calamenene. Calamenene II. calamenene (1-S,cis). trans-Calamenene. 1R-trans-calamenene. Calamenene I. (E)-Calamenene. Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-. isocalamenene. 10-Hydroxycalamenene. 14-hydroxy-calamenene.

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