Chemical Properties of neoabietinol (CAS 640-42-6)

neoabietinol

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/h12,17-18,21H,5-11,13H2,1-4H3
InChI Key
MUBMRBNHMHINMF-UHFFFAOYSA-N
Formula
C20H32O
SMILES
CC(C)=C1C=C2CCC3C(C)(CO)CCCC3(C)C2CC1
Molecular Weight1
288.47
CAS
640-42-6
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Physical Properties

Property Value Unit Source
ΔfusH° 23.87 kJ/mol Joback Calculated Property
logPoct/wat 5.258 Crippen Calculated Property
McVol 257.350 ml/mol McGowan Calculated Property
Inp [2400.00; 2504.90]   Show Hide
Inp 2400.00 NIST
Inp 2406.00 NIST
Inp 2504.90 NIST
Inp 2455.00 NIST
Inp 2504.90 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [330.42; 970.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.46889e+02
Coefficient B2.70678e+00
Coefficient C-2.42404e-03
Coefficient D9.34800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.42 J/mol×K 273.00 Calculated Property
Cp,gas 448.71 J/mol×K 353.78 Calculated Property
Cp,gas 548.32 J/mol×K 434.56 Calculated Property
Cp,gas 632.19 J/mol×K 515.33 Calculated Property
Cp,gas 703.29 J/mol×K 596.11 Calculated Property
Cp,gas 764.57 J/mol×K 676.89 Calculated Property
Cp,gas 818.99 J/mol×K 757.67 Calculated Property
Cp,gas 869.51 J/mol×K 838.44 Calculated Property
Cp,gas 919.08 J/mol×K 919.22 Calculated Property
Cp,gas 970.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. ((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. 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»)]-. ((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. pimarinol. ((1R,4aR,4bS,7R,10aR)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methanol. isopimarinol. Isopimarol. sandaracopimarinol. Himachalenol. Methyl 8(14),13(15)-Abietadien-18-oate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. ((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. (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene.

Find more compounds similar to neoabietinol.

Sources

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