Chemical Properties of Methyl abietate (CAS 127-25-3)

Methyl abietate

InChI
InChI=1S/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17?,18?,20?,21-/m0/s1
InChI Key
OVXRPXGVKBHGQO-QDDLRWIDSA-N
Formula
C21H32O2
SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12
Molecular Weight1
316.48
CAS
127-25-3
Other Names
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-
  • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
  • Abietic acid, methyl ester
  • Methyl 7,13-abietadien-18-oate
  • Wood rosin, methyl ester
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
  • NSC 2141
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Physical Properties

Property Value Unit Source
ΔfusH° 25.04 kJ/mol Joback Calculated Property
log10WS -5.21 Relay (1.0) Calculated Property
logPoct/wat 5.295 Crippen Calculated Property
McVol 273.010 ml/mol McGowan Calculated Property
Inp [2339.00; 2393.00]   Show Hide
Inp 2344.00 NIST
Inp 2356.00 NIST
Inp 2380.00 NIST
Inp 2339.00 NIST
Inp 2377.00 NIST
Inp 2393.00 NIST
Inp 2380.00 NIST
Inp 2380.00 NIST
I [3016.00; 3016.00]   Show Hide
I 3016.00 NIST
I 3016.00 NIST
I 3016.00 NIST
Tfus 362.43 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 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 [877.91; 1020.99] J/mol×K [783.52; 1013.83] Show Hide
Cp,gas 877.91 J/mol×K 783.52 Joback Calculated Property
Cp,gas 902.23 J/mol×K 821.90 Joback Calculated Property
Cp,gas 925.97 J/mol×K 860.29 Joback Calculated Property
Cp,gas 949.43 J/mol×K 898.67 Joback Calculated Property
Cp,gas 972.89 J/mol×K 937.06 Joback Calculated Property
Cp,gas 996.64 J/mol×K 975.44 Joback Calculated Property
Cp,gas 1020.99 J/mol×K 1013.83 Joback Calculated Property

Similar Compounds

Methyl abieta-7,13-dien-18-oate. 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»)]-. 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»)]-. Abietic acid. Methyl 8(14),13(15)-Abietadien-18-oate. 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. ABIETIC ACID, TRIMETHYLSILYL ESTER. 1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, methyl ester, [1S-[1«alpha»,4a«alpha»,5«alpha»(E),8a«beta»]]-. ((1S,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl)methyl acetate. Methyl abiet-7-en-18-oate. 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»)]-.

Find more compounds similar to Methyl abietate.

Sources

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