Chemical Properties of «gamma»-Humulene

«gamma»-Humulene

InChI
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,9-11H,5,7-8,12H2,1-4H3/b11-6-,13-9+,14-10+
InChI Key
QBNFBHXQESNSNP-KNAPRBDCSA-N
Formula
C15H24
SMILES
CC1=CC=CC(C)(C)CC=C(C)CCC1
Molecular Weight1
204.35
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Physical Properties

Property Value Unit Source
ΔfusH° 12.53 kJ/mol Joback Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
logPoct/wat 5.035 Crippen Calculated Property
McVol 198.450 ml/mol McGowan Calculated Property
Inp [1453.00; 1485.00]   Show Hide
Inp 1478.00 NIST
Inp 1479.00 NIST
Inp 1464.00 NIST
Inp 1481.00 NIST
Inp 1480.00 NIST
Inp 1485.00 NIST
Inp 1471.00 NIST
Inp 1476.00 NIST
Inp 1453.00 NIST
Inp 1453.00 NIST
Inp 1485.00 NIST
Inp 1478.00 NIST
Ip [1698.00; 1719.00]   Show Hide
Ip 1716.00 NIST
Ip 1698.00 NIST
Ip 1719.00 NIST
Ip 1713.00 NIST
Ip 1716.00 NIST
Tboil 539.16 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [242.86; 694.51] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.00010e+02
Coefficient B1.50788e+00
Coefficient C-1.00156e-03
Coefficient D2.88200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 242.86 J/mol×K 273.00 Calculated Property
Cp,gas 320.85 J/mol×K 353.78 Calculated Property
Cp,gas 389.76 J/mol×K 434.56 Calculated Property
Cp,gas 450.51 J/mol×K 515.33 Calculated Property
Cp,gas 504.00 J/mol×K 596.11 Calculated Property
Cp,gas 551.15 J/mol×K 676.89 Calculated Property
Cp,gas 592.86 J/mol×K 757.67 Calculated Property
Cp,gas 630.05 J/mol×K 838.44 Calculated Property
Cp,gas 663.63 J/mol×K 919.22 Calculated Property
Cp,gas 694.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,5,5-trimethylcyclohepta-1,3-diene. «beta»-Humulene. Humulene. «gamma»-Humulene. iso-«alpha»-humulene. Cholesta-2,4-diene. 1,1,4,8-Tetramethyl-cycloundeca-4Z,7Z,10Z-triene. 1,1,4,8-Tetramethyl-4,7,10-cycloundecatriene. 1,4,7,-Cycloundecatriene, 1,5,9,9-tetramethyl-, Z,Z,Z-. 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-. 3(Z)-Cembrene A. Cembrene C. Cyclohexene, 4-ethenyl-1,4-dimethyl-. Dimyrcene isomer # 1. 6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde.

Find more compounds similar to «gamma»-Humulene.

Sources

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