Chemical Properties of «delta»-patchoulene

«delta»-patchoulene

InChI
InChI=1S/C16H28/c1-12(2)6-7-14-9-8-13-10-11-16(14,5)15(13,3)4/h9,12-13H,6-8,10-11H2,1-5H3
InChI Key
BLLLUIMYYWMBGY-UHFFFAOYSA-N
Formula
C16H28
SMILES
CC(C)CCC1=CCC2CCC1(C)C2(C)C
Molecular Weight1
220.39
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Physical Properties

Property Value Unit Source
ω 0.3775 Relay (1.0) Calculated Property
ΔfG° 180.34 kJ/mol Joback Calculated Property
ΔfH°gas -169.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.05 kJ/mol Joback Calculated Property
ΔvapH° 64.93 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -5.86 Relay (1.0) Calculated Property
logPoct/wat 5.195 Crippen Calculated Property
McVol 210.280 ml/mol McGowan Calculated Property
Pc 1798.51 kPa Joback Calculated Property
Inp 1452.00 NIST
I 1627.00 NIST
Tboil 537.11 K Relay (1.0) Calculated Property
Tc 751.09 K Relay (1.0) Calculated Property
Tfus 343.86 K Relay (1.0) Calculated Property
Vc 0.749 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [569.02; 687.34] J/mol×K [587.01; 797.84] Show Hide
Cp,gas 569.02 J/mol×K 587.01 Joback Calculated Property
Cp,gas 591.16 J/mol×K 622.15 Joback Calculated Property
Cp,gas 612.03 J/mol×K 657.29 Joback Calculated Property
Cp,gas 631.86 J/mol×K 692.42 Joback Calculated Property
Cp,gas 650.87 J/mol×K 727.56 Joback Calculated Property
Cp,gas 669.29 J/mol×K 762.70 Joback Calculated Property
Cp,gas 687.34 J/mol×K 797.84 Joback Calculated Property

Similar Compounds

Cholest-5-ene. Cholest-4-ene. Aristolochene. 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1«alpha»,3a«alpha»,7«alpha»,8a«beta»)-. «alpha»-Bisabolene. Urs-12-ene. Bicyclo[2.2.1]heptane, 2-ethylidene-1,7,7-trimethyl-, (E)-. petasitene. Cyprotene. 24-Norursa-3,12-diene. Laurenene. epi-Laurene. epi-Laurenene. 5-Androstene, 4,4-dimethyl-. 1,3a-Ethano-3aH-indene, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-, [1R-(1«alpha»,3a«alpha»,7a«alpha»)]-.

Find more compounds similar to «delta»-patchoulene.

Sources

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