Chemical Properties of Dimethylmalonic acid, isohexyl 4-octyl ester

Dimethylmalonic acid, isohexyl 4-octyl ester

InChI
InChI=1S/C19H36O4/c1-7-9-13-16(11-8-2)23-18(21)19(5,6)17(20)22-14-10-12-15(3)4/h15-16H,7-14H2,1-6H3
InChI Key
XTAJKZCWQUWQFK-UHFFFAOYSA-N
Formula
C19H36O4
SMILES
CCCCC(CCC)OC(=O)C(C)(C)C(=O)OCCCC(C)C
Molecular Weight1
328.49
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Physical Properties

Property Value Unit Source
ΔfH°gas -1080.84 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.24 kJ/mol Joback Calculated Property
ΔvapH° 83.85 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.894 Crippen Calculated Property
McVol 293.450 ml/mol McGowan Calculated Property
Inp 1860.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [894.75; 990.29] J/mol×K [746.65; 928.11] Show Hide
Cp,gas 894.75 J/mol×K 746.65 Joback Calculated Property
Cp,gas 913.31 J/mol×K 776.89 Joback Calculated Property
Cp,gas 930.79 J/mol×K 807.14 Joback Calculated Property
Cp,gas 947.19 J/mol×K 837.38 Joback Calculated Property
Cp,gas 962.56 J/mol×K 867.62 Joback Calculated Property
Cp,gas 976.92 J/mol×K 897.87 Joback Calculated Property
Cp,gas 990.29 J/mol×K 928.11 Joback Calculated Property
η [0.0000341; 0.0033026] Pa×s [360.97; 746.65] Show Hide
η 0.0033026 Pa×s 360.97 Joback Calculated Property
η 0.0008665 Pa×s 425.25 Joback Calculated Property
η 0.0003231 Pa×s 489.53 Joback Calculated Property
η 0.0001515 Pa×s 553.81 Joback Calculated Property
η 0.0000831 Pa×s 618.09 Joback Calculated Property
η 0.0000511 Pa×s 682.37 Joback Calculated Property
η 0.0000341 Pa×s 746.65 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, tetradecyl trans-4-methylcyclohexyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl octyl ester. Dimethylmalonic acid, nonyl trans-4-methylcyclohexyl ester. Dimethylmalonic acid, decyl trans-4-methylcyclohexyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl nonyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl heptadecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl pentadecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl hexadecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl decyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl dodecyl ester. Dimethylmalonic acid, octyl trans-4-methylcyclohexyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl octadecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl undecyl ester. Dimethylmalonic acid, cis-4-methylcyclohexyl tetradecyl ester.

Find more compounds similar to Dimethylmalonic acid, isohexyl 4-octyl ester.

Sources

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