Chemical Properties of GA1 1,10-ene diacid, MeTMS

GA1 1,10-ene diacid, MeTMS

InChI
InChI=1S/C21H28O4/c1-12-10-21-11-13(12)7-8-15(21)14-6-5-9-20(2,19(23)25-4)16(14)17(21)18(22)24-3/h6,13,15-17H,1,5,7-11H2,2-4H3/t13?,15-,16+,17+,20+,21-/m1/s1
InChI Key
WXEWPXFNVFSVOA-LDNWYAMUSA-N
Formula
C21H28O4
SMILES
C=C1CC23CC1CCC2C1=CCCC(C)(C(=O)OC)C1C3C(=O)OC
Molecular Weight1
344.44
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Physical Properties

Property Value Unit Source
ΔfusH° 34.34 kJ/mol Joback Calculated Property
logPoct/wat 3.667 Crippen Calculated Property
McVol 269.590 ml/mol McGowan Calculated Property
Inp [2576.00; 2578.00]   Show Hide
Inp 2576.00 NIST
Inp 2578.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [364.46; 1004.97] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.25450e+02
Coefficient B2.76186e+00
Coefficient C-2.45324e-03
Coefficient D9.21800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.46 J/mol×K 273.00 Calculated Property
Cp,gas 485.41 J/mol×K 353.78 Calculated Property
Cp,gas 587.11 J/mol×K 434.56 Calculated Property
Cp,gas 672.48 J/mol×K 515.33 Calculated Property
Cp,gas 744.43 J/mol×K 596.11 Calculated Property
Cp,gas 805.88 J/mol×K 676.89 Calculated Property
Cp,gas 859.75 J/mol×K 757.67 Calculated Property
Cp,gas 908.94 J/mol×K 838.44 Calculated Property
Cp,gas 956.38 J/mol×K 919.22 Calculated Property
Cp,gas 1004.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

[14C] GA15-15,16-ene methyl ester. GA20-Open lactone-1(10)-ene, Me-TMS. GA7 di-acid 9,10-ene, methyl ester TMS ether. Olean-12-en-28-oic acid, 3-oxo-, methyl ester. Gibbane-1,10-dicarboxylic acid, 4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-. [14C] GA15, methyl ester. [14C4]GA15 methyl ester TMS ether. [14C] GA24 methyl ester. GA24, Methylated. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. [14C4]GA24 methyl ester. GA24 methyl ester. Methyl abiet-7-en-18-oate. [14C] GA25 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester.

Find more compounds similar to GA1 1,10-ene diacid, MeTMS.

Sources

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