Chemical Properties of Thunbergol (CAS 25269-17-4)

Thunbergol

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InChI
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10+,18-9+
InChI Key
YAPXSYXFLHDPCK-MAUDFNNOSA-N
Formula
C20H34O
SMILES
CC1=CCCC(C)(O)C=CC(C(C)C)CCC(C)=CCC1
Molecular Weight1
290.48
CAS
25269-17-4
Other Names
  • (1R,2E,4S,7E,11E)-4-Isopropyl-1,7,11-trimethylcyclotetradeca-2,7,11-trienol
  • Isocembrol
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Physical Properties

Property Value Unit Source
Δf -36.67 kJ/mol Joback Calculated Property
Δfgas -463.30 kJ/mol Joback Calculated Property
Δfus 20.82 kJ/mol Joback Calculated Property
Δvap 78.95 kJ/mol Joback Calculated Property
log10WS -6.54 Crippen Calculated Property
logPoct/wat 5.813 Crippen Calculated Property
McVol 274.770 ml/mol McGowan Calculated Property
Pc 1546.35 kPa Joback Calculated Property
Inp [2032.00; 2094.00]   Show Hide
Inp 2073.00 NIST
Inp 2032.00 NIST
Inp 2094.00 NIST
Inp 2047.00 NIST
Inp 2047.00 NIST
I [2498.00; 2575.00]   Show Hide
I 2575.00 NIST
I 2498.00 NIST
I 2575.00 NIST
Tboil 805.46 K Joback Calculated Property
Tc 1028.60 K Joback Calculated Property
Tfus 387.18 K Joback Calculated Property
Vc 0.993 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [877.52; 996.50] J/mol×K [805.46; 1028.60] Show Hide
Cp,gas 877.52 J/mol×K 805.46 Joback Calculated Property
Cp,gas 900.62 J/mol×K 842.65 Joback Calculated Property
Cp,gas 922.31 J/mol×K 879.84 Joback Calculated Property
Cp,gas 942.67 J/mol×K 917.03 Joback Calculated Property
Cp,gas 961.78 J/mol×K 954.22 Joback Calculated Property
Cp,gas 979.69 J/mol×K 991.41 Joback Calculated Property
Cp,gas 996.50 J/mol×K 1028.60 Joback Calculated Property

Similar Compounds

Cembra-2,7,11-trien-4-ol. Germacradien-4-ol. (2E,4S,7E)-4-Isopropyl-1,7-dimethylcyclodeca-2,7-dienol. Germacrenol. Germacren-4-ol. Unknown Black Pepper Gremacrene-D-4-ol isomer RI 1627. Germacrene 1(10),5-dien-4-ol. (1R,4R)-1-methyl-4-(6-Methylhept-5-en-2-yl)cyclohex-2-enol. 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-. 2-(7Z)-Bisaboladien-4-ol. 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-. 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-. p-Menth-2-en-1-ol. 4-Isopropyl-1-methylcyclohex-2-enol. Germacra-1(10),5-dien-3,4-diol.

Find more compounds similar to Thunbergol.

Sources

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