Chemical Properties of Dimethylmalonic acid, isohexyl 2-naphthylmethyl ester

Dimethylmalonic acid, isohexyl 2-naphthylmethyl ester

InChI
InChI=1S/C22H28O4/c1-16(2)8-7-13-25-20(23)22(3,4)21(24)26-15-17-11-12-18-9-5-6-10-19(18)14-17/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3
InChI Key
QKCMAIFWWUHKAT-UHFFFAOYSA-N
Formula
C22H28O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)OCc1ccc2ccccc2c1
Molecular Weight1
356.46
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Physical Properties

Property Value Unit Source
ΔfusH° 41.21 kJ/mol Joback Calculated Property
log10WS -5.35 Relay (1.0) Calculated Property
logPoct/wat 4.889 Crippen Calculated Property
McVol 292.500 ml/mol McGowan Calculated Property
Inp [2606.00; 2606.00]   Show Hide
Inp 2606.00 NIST
Inp 2606.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [909.36; 984.59] J/mol×K [866.37; 1083.41] Show Hide
Cp,gas 909.36 J/mol×K 866.37 Joback Calculated Property
Cp,gas 924.74 J/mol×K 902.54 Joback Calculated Property
Cp,gas 938.87 J/mol×K 938.72 Joback Calculated Property
Cp,gas 951.84 J/mol×K 974.89 Joback Calculated Property
Cp,gas 963.73 J/mol×K 1011.06 Joback Calculated Property
Cp,gas 974.62 J/mol×K 1047.23 Joback Calculated Property
Cp,gas 984.59 J/mol×K 1083.41 Joback Calculated Property
η [0.0000451; 0.0008056] Pa×s [481.42; 866.37] Show Hide
η 0.0008056 Pa×s 481.42 Joback Calculated Property
η 0.0003756 Pa×s 545.58 Joback Calculated Property
η 0.0002056 Pa×s 609.74 Joback Calculated Property
η 0.0001262 Pa×s 673.89 Joback Calculated Property
η 0.0000844 Pa×s 738.05 Joback Calculated Property
η 0.0000601 Pa×s 802.21 Joback Calculated Property
η 0.0000451 Pa×s 866.37 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 2-naphthylmethyl pentyl ester. Dimethylmalonic acid, heptyl 2-naphthylmethyl ester. Dimethylmalonic acid, decyl 2-naphthylmethyl ester. Dimethylmalonic acid, 2-naphthylmethyl undecyl ester. Dimethylmalonic acid, 2-naphthylmethyl nonyl ester. Dimethylmalonic acid, 2-naphthylmethyl octyl ester. Glutaric acid, naphth-2-ylmethyl 2-methylpentyl ester. Glutaric acid, naphth-2-ylmethyl 2-ethylhexyl ester. Glutaric acid, naphth-2-ylmethyl 2,4,4-trimethylpentyl ester. Succinic acid, naphth-2-ylmethyl 2-methylpentyl ester. Glutaric acid, naphth-2-ylmethyl 3,7-dimethyloctyl ester. Glutaric acid, cyclohexylmethyl (2-naphthyl)methyl ester. Dimethylmalonic acid, 2-naphthylmethyl propyl ester. Succinic acid, naphth-2-ylmethyl 3-methylpentyl ester. Succinic acid, cyclohexylmethyl 2-naphthylmethyl ester.

Find more compounds similar to Dimethylmalonic acid, isohexyl 2-naphthylmethyl ester.

Sources

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