Chemical Properties of Diethylmalonic acid, octyl 2,3,5-trichlorophenyl ester

Diethylmalonic acid, octyl 2,3,5-trichlorophenyl ester

InChI
InChI=1S/C21H29Cl3O4/c1-4-7-8-9-10-11-12-27-19(25)21(5-2,6-3)20(26)28-17-14-15(22)13-16(23)18(17)24/h13-14H,4-12H2,1-3H3
InChI Key
CRACSYLLJSKESK-UHFFFAOYSA-N
Formula
C21H29Cl3O4
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
451.81
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Physical Properties

Property Value Unit Source
ΔfusH° 56.93 kJ/mol Joback Calculated Property
logPoct/wat 7.262 Crippen Calculated Property
McVol 334.590 ml/mol McGowan Calculated Property
Inp [2709.00; 2709.00]   Show Hide
Inp 2709.00 NIST
Inp 2709.00 NIST
Tboil 652.84 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [999.58; 1057.69] J/mol×K [947.20; 1165.14] Show Hide
Cp,gas 999.58 J/mol×K 947.20 Joback Calculated Property
Cp,gas 1012.26 J/mol×K 983.52 Joback Calculated Property
Cp,gas 1023.67 J/mol×K 1019.85 Joback Calculated Property
Cp,gas 1033.87 J/mol×K 1056.17 Joback Calculated Property
Cp,gas 1042.91 J/mol×K 1092.49 Joback Calculated Property
Cp,gas 1050.83 J/mol×K 1128.82 Joback Calculated Property
Cp,gas 1057.69 J/mol×K 1165.14 Joback Calculated Property
η [0.0000175; 0.0002401] Pa×s [567.25; 947.20] Show Hide
η 0.0002401 Pa×s 567.25 Joback Calculated Property
η 0.0001247 Pa×s 630.58 Joback Calculated Property
η 0.0000730 Pa×s 693.90 Joback Calculated Property
η 0.0000467 Pa×s 757.23 Joback Calculated Property
η 0.0000320 Pa×s 820.55 Joback Calculated Property
η 0.0000232 Pa×s 883.88 Joback Calculated Property
η 0.0000175 Pa×s 947.20 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, decyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, heptyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, pentadecyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, 2,3,5-trichlorophenyl undecyl ester. Diethylmalonic acid, nonyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, dodecyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, tetradecyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, hexyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, butyl 2,3,5-trichlorophenyl ester. Diethylmalonic acid, 2,3-dichlorophenyl octyl ester. Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester. Diethylmalonic acid, 2,3-dichlorophenyl nonyl ester. Diethylmalonic acid, 2,3-dichlorophenyl hexadecyl ester. Diethylmalonic acid, 2,3-dichlorophenyl heptyl ester.

Find more compounds similar to Diethylmalonic acid, octyl 2,3,5-trichlorophenyl ester.

Sources

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