Chemical Properties of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,10a«alpha»)]- (CAS 18492-76-7)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-

InChI
InChI=1S/C21H28O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7-10,13-14,18H,6,11-12H2,1-5H3
InChI Key
GNEXBBYESLSHNT-UHFFFAOYSA-N
Formula
C21H28O2
SMILES
COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C=CC12
Molecular Weight1
312.45
CAS
18492-76-7
Other Names
  • Podocarpa-6,8,11,13-tetraen-15-oic acid, 13-isopropyl-, methyl ester
  • Methyl 6-dehydrodehydroabietate
  • Methyl 6,8,11,13-abietatetraen-18-oate
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Physical Properties

Property Value Unit Source
ΔfusH° 26.02 kJ/mol Joback Calculated Property
logPoct/wat 5.074 Crippen Calculated Property
McVol 264.410 ml/mol McGowan Calculated Property
Inp 2378.00 NIST
Tfus 353.00 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, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [346.10; 939.83] 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-1.94770e+02
Coefficient B2.53600e+00
Coefficient C-2.26900e-03
Coefficient D8.67600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 346.10 J/mol×K 273.00 Calculated Property
Cp,gas 456.84 J/mol×K 353.78 Calculated Property
Cp,gas 549.98 J/mol×K 434.56 Calculated Property
Cp,gas 628.28 J/mol×K 515.33 Calculated Property
Cp,gas 694.46 J/mol×K 596.11 Calculated Property
Cp,gas 751.29 J/mol×K 676.89 Calculated Property
Cp,gas 801.49 J/mol×K 757.67 Calculated Property
Cp,gas 847.82 J/mol×K 838.44 Calculated Property
Cp,gas 893.02 J/mol×K 919.22 Calculated Property
Cp,gas 939.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + m-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + Phe (methyl ester) adduct, (R). Poligodial + Phe (methyl ester) adduct, (S). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Benazepril Me. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. azadirachtin. Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether.

Find more compounds similar to 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-.

Sources

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