Chemical Properties of ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol (CAS 24563-94-8)

((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol

InChI
InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3
InChI Key
GQRUHVMVWNKUFW-UHFFFAOYSA-N
Formula
C20H32O
SMILES
CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1
Molecular Weight1
288.47
CAS
24563-94-8
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Physical Properties

Property Value Unit Source
ΔfusH° 22.17 kJ/mol Joback Calculated Property
log10WS -5.30 Relay (1.0) Calculated Property
logPoct/wat 5.114 Crippen Calculated Property
McVol 257.350 ml/mol McGowan Calculated Property
Inp [2340.00; 2374.90]   Show Hide
Inp 2340.00 NIST
Inp 2374.90 NIST
Inp 2374.90 NIST
Tfus 393.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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 [843.87; 979.33] J/mol×K [794.60; 1012.49] Show Hide
Cp,gas 843.87 J/mol×K 794.60 Joback Calculated Property
Cp,gas 866.27 J/mol×K 830.91 Joback Calculated Property
Cp,gas 888.40 J/mol×K 867.23 Joback Calculated Property
Cp,gas 910.50 J/mol×K 903.54 Joback Calculated Property
Cp,gas 932.85 J/mol×K 939.86 Joback Calculated Property
Cp,gas 955.70 J/mol×K 976.17 Joback Calculated Property
Cp,gas 979.33 J/mol×K 1012.49 Joback Calculated Property

Similar Compounds

((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. neoabietinol. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate. Abietic acid. ABIETIC ACID, TRIMETHYLSILYL ESTER. Methyl abieta-7,13-dien-18-oate. Methyl abietate. isopimarinol. sandaracopimarinol. Isopimarol. ((1S,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methyl acetate. Methyl 8(14),12-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Abietadiene. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-.

Find more compounds similar to ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol.

Sources

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