Chemical Properties of (1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid (CAS 2761-77-5)

(1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid

InChI
InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/b14-8+
InChI Key
YGBZFOQXPOGACY-RIYZIHGNSA-N
Formula
C20H30O2
SMILES
C=CC(C)=CCC1C(=C)CCC2C(C)(C(=O)O)CCCC12C
Molecular Weight1
302.45
CAS
2761-77-5
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Physical Properties

Property Value Unit Source
ΔfusH° 31.57 kJ/mol Joback Calculated Property
logPoct/wat 5.372 Crippen Calculated Property
McVol 265.480 ml/mol McGowan Calculated Property
Inp [2404.60; 2404.60]   Show Hide
Inp 2404.60 NIST
Inp 2404.60 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [346.45; 965.22] 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-2.14339e+02
Coefficient B2.63126e+00
Coefficient C-2.36260e-03
Coefficient D9.10900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.45 J/mol×K 273.00 Calculated Property
Cp,gas 461.18 J/mol×K 353.78 Calculated Property
Cp,gas 557.69 J/mol×K 434.56 Calculated Property
Cp,gas 638.87 J/mol×K 515.33 Calculated Property
Cp,gas 707.59 J/mol×K 596.11 Calculated Property
Cp,gas 766.74 J/mol×K 676.89 Calculated Property
Cp,gas 819.20 J/mol×K 757.67 Calculated Property
Cp,gas 867.84 J/mol×K 838.44 Calculated Property
Cp,gas 915.56 J/mol×K 919.22 Calculated Property
Cp,gas 965.22 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-. Abietic acid. 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»)]-. 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»)]-. Methyl 8(14),12-Abietadien-18-oate. ABIETIC ACID, TRIMETHYLSILYL ESTER. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl abietate. Methyl abieta-7,13-dien-18-oate. 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»)]-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid,7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a-7-trimethyl-, methyl ester. Methyl 7,15-Isopimaradien-18-oate. ((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol.

Find more compounds similar to (1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid.

Sources

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