Chemical Properties of Diethylmalonic acid, butyl 2-chloro-5-methylphenyl ester

Diethylmalonic acid, butyl 2-chloro-5-methylphenyl ester

InChI
InChI=1S/C18H25ClO4/c1-5-8-11-22-16(20)18(6-2,7-3)17(21)23-15-12-13(4)9-10-14(15)19/h9-10,12H,5-8,11H2,1-4H3
InChI Key
ANJQNERBVQORIH-UHFFFAOYSA-N
Formula
C18H25ClO4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl
Molecular Weight1
340.85
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Physical Properties

Property Value Unit Source
ΔfH°gas -815.71 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.16 kJ/mol Joback Calculated Property
ΔvapH° 96.25 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.704 Crippen Calculated Property
McVol 267.840 ml/mol McGowan Calculated Property
Inp [2157.00; 2157.00]   Show Hide
Inp 2157.00 NIST
Inp 2157.00 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 [777.98; 850.84] J/mol×K [798.72; 1005.82] Show Hide
Cp,gas 777.98 J/mol×K 798.72 Joback Calculated Property
Cp,gas 792.93 J/mol×K 833.24 Joback Calculated Property
Cp,gas 806.71 J/mol×K 867.75 Joback Calculated Property
Cp,gas 819.36 J/mol×K 902.27 Joback Calculated Property
Cp,gas 830.91 J/mol×K 936.79 Joback Calculated Property
Cp,gas 841.39 J/mol×K 971.31 Joback Calculated Property
Cp,gas 850.84 J/mol×K 1005.82 Joback Calculated Property
η [0.0000397; 0.0006978] Pa×s [461.08; 798.72] Show Hide
η 0.0006978 Pa×s 461.08 Joback Calculated Property
η 0.0003337 Pa×s 517.35 Joback Calculated Property
η 0.0001844 Pa×s 573.63 Joback Calculated Property
η 0.0001133 Pa×s 629.90 Joback Calculated Property
η 0.0000754 Pa×s 686.17 Joback Calculated Property
η 0.0000534 Pa×s 742.45 Joback Calculated Property
η 0.0000397 Pa×s 798.72 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 2-chloro-5-methylphenyl pentyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl propyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl tridecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl dodecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl pentadecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl heptadecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl heptyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl octyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl nonyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl tetradecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl hexadecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl undecyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl hexyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl isobutyl ester. Diethylmalonic acid, 2-chloro-5-methylphenyl ethyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 2-chloro-5-methylphenyl ester.

Sources

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