Chemical Properties of «beta»-patchoulene isomer

«beta»-patchoulene isomer

InChI
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3
InChI Key
CSKINCSXMLCMAR-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1CCC2=C1CC1CCC2(C)C1(C)C
Molecular Weight1
204.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -58.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.73 kJ/mol Joback Calculated Property
ΔvapH° 65.70 kJ/mol Relay (1.0) Calculated Property
IE 7.79 eV Relay (1.0) Calculated Property
logPoct/wat 4.559 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Tboil 528.67 K Relay (1.0) Calculated Property
Tfus 369.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.58; 620.06] J/mol×K [576.49; 803.17] Show Hide
Cp,gas 503.58 J/mol×K 576.49 Joback Calculated Property
Cp,gas 525.66 J/mol×K 614.27 Joback Calculated Property
Cp,gas 546.27 J/mol×K 652.05 Joback Calculated Property
Cp,gas 565.72 J/mol×K 689.83 Joback Calculated Property
Cp,gas 584.30 J/mol×K 727.61 Joback Calculated Property
Cp,gas 602.31 J/mol×K 765.39 Joback Calculated Property
Cp,gas 620.06 J/mol×K 803.17 Joback Calculated Property

Similar Compounds

4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1«alpha»,4«alpha»,7«alpha»)]-. Patchoulene. Ginsinsene. «alpha»-Cyperene. 3H-3a,7-Methanoazulene,2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-. 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3a«alpha»,4«beta»,7«alpha»)]-. Panaginsene. Presilphiperfolene. Presilphiperfol-7-ene. Silfiperfol-6-ene. Silphiperfol-6-ene. Silphiperfol-6-ene. epi-Isozizaene. Bicyclo[2.2.1]heptane, 2-cyclopropylidene-1,7,7-trimethyl-. 6S-2,3,8,8-Tetramethyltricyclo[5.2.2.0(1,6)]undec-2-ene.

Find more compounds similar to «beta»-patchoulene isomer.

Sources

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