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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 24.44 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [828.82; 967.90] J/mol×K [809.36; 1045.35] Show Hide
Cp,gas 828.82 J/mol×K 809.36 Joback Calculated Property
Cp,gas 851.28 J/mol×K 848.69 Joback Calculated Property
Cp,gas 873.61 J/mol×K 888.02 Joback Calculated Property
Cp,gas 896.12 J/mol×K 927.36 Joback Calculated Property
Cp,gas 919.13 J/mol×K 966.69 Joback Calculated Property
Cp,gas 942.95 J/mol×K 1006.02 Joback Calculated Property
Cp,gas 967.90 J/mol×K 1045.35 Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.