Chemical Properties of Abietic acid (CAS 514-10-3)

Abietic acid

InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16?,17?,19?,20-/m0/s1
InChI Key
RSWGJHLUYNHPMX-CSPVLLTOSA-N
Formula
C20H30O2
SMILES
CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1
Molecular Weight1
302.45
CAS
514-10-3
Other Names
  • (-)-Abietic acid
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-
  • 13-Isopropylpodocarpa-7,13-dien-15-oic acid
  • 7,13-Abietadien-18-oic acid
  • Abietate
  • Abietinic acid
  • Kyselina abietova
  • L-abietic acid
  • NSC 25149
  • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-
  • Sylvic acid
  • [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
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Physical Properties

Property Value Unit Source
ΔfusH° 19.45 kJ/mol Measurement and correlation of solubility of abietic acid in ethanol + water mixtures
log10WS -3.80 Aq. Solubility Prediction
logPoct/wat 5.206 Crippen Calculated Property
McVol 258.920 ml/mol McGowan Calculated Property
Inp 2512.70 NIST
Tfus [446.65; 450.89] K Show Hide
Tfus 450.89 K Measurement and correlation of solid-liquid equilibrium for abietic acid + alcohol systems at atmospheric pressure
Tfus 446.65 K Aq. Solubility Prediction

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 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 [868.41; 1008.10] J/mol×K [848.27; 1072.04] Show Hide
Cp,gas 868.41 J/mol×K 848.27 Joback Calculated Property
Cp,gas 890.49 J/mol×K 885.56 Joback Calculated Property
Cp,gas 912.68 J/mol×K 922.86 Joback Calculated Property
Cp,gas 935.26 J/mol×K 960.15 Joback Calculated Property
Cp,gas 958.50 J/mol×K 997.45 Joback Calculated Property
Cp,gas 982.69 J/mol×K 1034.74 Joback Calculated Property
Cp,gas 1008.10 J/mol×K 1072.04 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [512.35; 693.41] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37837e+01
Coefficient B-4.12080e+03
Coefficient C-2.07019e+02
Temperature range, min.512.35
Temperature range, max.693.41
Pvap 1.33 kPa 512.35 Calculated Property
Pvap 3.07 kPa 532.47 Calculated Property
Pvap 6.42 kPa 552.59 Calculated Property
Pvap 12.37 kPa 572.70 Calculated Property
Pvap 22.26 kPa 592.82 Calculated Property
Pvap 37.79 kPa 612.94 Calculated Property
Pvap 61.03 kPa 633.06 Calculated Property
Pvap 94.39 kPa 653.17 Calculated Property
Pvap 140.61 kPa 673.29 Calculated Property
Pvap 202.66 kPa 693.41 Calculated Property

Similar Compounds

Methyl abieta-7,13-dien-18-oate. Methyl abietate. ABIETIC ACID, TRIMETHYLSILYL ESTER. 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. ((1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methanol. ((1S,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,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. 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»)]-. Methyl 8(14),13(15)-Abietadien-18-oate. (1S,4aR,5S,8aR)-1,4a-Dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylic acid. Methyl 13«beta»-Abieta-7,9(11)dien-18-oate. Methyl palustrate. Methyl 8,13-Abietadien-18-oate.

Find more compounds similar to Abietic acid.

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