Chemical Properties of Isogermacrene D

Isogermacrene D

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InChI
InChI=1S/C16H26/c1-13(2)16-10-6-9-14(3)7-5-8-15(4)11-12-16/h6,8-9,13,16H,3,5,7,10-12H2,1-2,4H3/b9-6-,15-8+/t16-/m1/s1
InChI Key
NDKRHWBZQMLINJ-DPFABPHNSA-N
Formula
C16H26
SMILES
C=C1C=CCC(C(C)C)CCC(C)=CCC1
Molecular Weight1
218.38
Sources

Physical Properties

Property Value Unit Source
Δf 148.72 kJ/mol Joback Calculated Property
Δfgas -167.00 kJ/mol Joback Calculated Property
Δfus 15.90 kJ/mol Joback Calculated Property
Δvap 53.52 kJ/mol Joback Calculated Property
logPoct/wat 5.28 Crippen Calculated Property
Pc 1826.28 kPa Joback Calculated Property
Tboil 608.40 K Joback Calculated Property
Tc 835.10 K Joback Calculated Property
Tfus 272.58 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 555.80 J/mol×K 608.4 Joback Calculated Property
η 0.00 Pa×s 608.4 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 3
=CH2 1
=C< (ring) 2
-CH3 3
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

Germacrene D isomer # 1. Isogermacrene D. (-)-Germacrene D. Germacrene D. Isocembrene. 6«alpha»-Hydroxygermacra-1(10),4-diene. 2,10,14-trimethyl-6-methylene-7(3-methyl-pent-4-enyl)-pentadec-2,9,13-triene. (6S)-2-Methyl-6-[(1R)-4-methylenecyclohex-2-enyl]hept-2-ene. Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-. 2,10,14-trimethyl-6-methylene-7(3-methyl-pent-4-enyl)-pentadec-9,13-diene. Cyclohexene, 1-methyl-4-(1-methylethyl)-. Cyclohexene, 1-methyl-4-(1-methylethyl)-, (R)-. «beta»-Phellandrene. «delta»-phellandrene. «gamma»-Humulene.

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