Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester

Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-29-25(27)19-16-20-26(28)30-22-24-18-14-13-17-23(24)2/h3-11,13-14,16-22H2,1-2H3
InChI Key
JFQGJLYZATXKLS-UHFFFAOYSA-N
Formula
C26H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC1=C(C)CCCC1
Molecular Weight1
418.62
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Physical Properties

Property Value Unit Source
ΔfH°gas -800.06 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 66.16 kJ/mol Joback Calculated Property
ΔvapH° 121.94 kJ/mol Relay (1.0) Calculated Property
log10WS -6.36 Relay (1.0) Calculated Property
logPoct/wat 6.668 Crippen Calculated Property
McVol 368.320 ml/mol McGowan Calculated Property
Pc 918.27 kPa Joback Calculated Property
Inp [3054.00; 3054.00]   Show Hide
Inp 3054.00 NIST
Inp 3054.00 NIST
Tboil 673.89 K Relay (1.0) Calculated Property
Tc 879.45 K Relay (1.0) Calculated Property
Tfus 305.29 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [1234.12; 1316.19] J/mol×K [953.26; 1167.68] Show Hide
Cp,gas 1234.12 J/mol×K 953.26 Joback Calculated Property
Cp,gas 1251.73 J/mol×K 989.00 Joback Calculated Property
Cp,gas 1267.71 J/mol×K 1024.73 Joback Calculated Property
Cp,gas 1282.11 J/mol×K 1060.47 Joback Calculated Property
Cp,gas 1294.96 J/mol×K 1096.21 Joback Calculated Property
Cp,gas 1306.30 J/mol×K 1131.95 Joback Calculated Property
Cp,gas 1316.19 J/mol×K 1167.68 Joback Calculated Property

Similar Compounds

Glutaric acid, di((2-methylcyclohex-1-enyl)methyl) ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl but-3-yn-2-yl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl hept-2-yl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl dodec-2-en-1-yl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3-tetrafluoropropyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 8-chlorooctyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 3-methylbut-2-yl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-ethylhexyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-methylpent-3-yl ester. Succinic acid, hept-2-yl (2-methylcyclohex-1-en-1-yl)methyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl (2-methylcyclohex-1-en-1-yl)methyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 3-chlorophenyl ester.

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester.

Sources

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