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»)]-

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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
ΔfG° 91.30 kJ/mol Joback Calculated Property
ΔfH°gas -312.06 kJ/mol Joback Calculated Property
ΔfusH° 24.44 kJ/mol Joback Calculated Property
ΔvapH° 72.56 kJ/mol Joback Calculated Property
log10WS -5.47 Crippen Calculated Property
logPoct/wat 5.074 Crippen Calculated Property
McVol 264.410 ml/mol McGowan Calculated Property
Pc 1631.17 kPa Joback Calculated Property
Inp 2378.00 NIST
Tboil 809.36 K Joback Calculated Property
Tc 1045.35 K Joback Calculated Property
Tfus 508.21 K Joback Calculated Property
Vc 1.000 m3/kmol Joback Calculated Property

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

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»)]-.

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