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

Abietic acid

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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»)]-
  • 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
  • [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
Δf -6.94 kJ/mol Joback Calculated Property
Δfgas -435.86 kJ/mol Joback Calculated Property
Δfus 19.45 kJ/mol Measure...
Δvap 83.05 kJ/mol Joback Calculated Property
log10WS -3.80 Aq. Sol...
logPoct/wat 5.206 Crippen Calculated Property
McVol 258.920 ml/mol McGowan Calculated Property
Pc 1793.94 kPa Joback Calculated Property
Inp 2512.70 NIST
Tboil 848.27 K Joback Calculated Property
Tc 1072.04 K Joback Calculated Property
Tfus [446.65; 450.89] K Show Hide
Tfus 446.65 K Aq. Sol...
Tfus 450.89 K Measure...
Vc 0.973 m3/kmol Joback Calculated Property

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 Yaw... 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 abietate. Methyl abieta-7,13-dien-18-oate. 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»)]-. Methyl 8(14),12-Abietadien-18-oate. 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»)]-. ((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»)]-. 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. 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 13«beta»-Abieta-7,9(11)dien-18-oate. Methyl 8,13-Abietadien-18-oate. Methyl palustrate.

Find more compounds similar to Abietic acid.

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