Chemical Properties of Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester

Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester

InChI
InChI=1S/C23H33F3O4/c1-4-5-6-7-8-9-10-11-12-13-16-29-21(27)23(2,3)22(28)30-18-15-14-17(24)19(25)20(18)26/h14-15H,4-13,16H2,1-3H3
InChI Key
ATIIFKVUZFIFRE-UHFFFAOYSA-N
Formula
C23H33F3O4
SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c(F)c1F
Molecular Weight1
430.50
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 58.76 kJ/mol Joback Calculated Property
log10WS -7.29 Relay (1.0) Calculated Property
logPoct/wat 6.500 Crippen Calculated Property
McVol 331.360 ml/mol McGowan Calculated Property
Pc 949.08 kPa Joback Calculated Property
Inp [2437.00; 2437.00]   Show Hide
Inp 2437.00 NIST
Inp 2437.00 NIST
Tboil 619.95 K Relay (1.0) Calculated Property
Tfus 295.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [499.60; 1117.17] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.55910e+01
Coefficient B1.98306e+00
Coefficient C-1.08928e-03
Coefficient D1.87800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 499.60 J/mol×K 273.00 Calculated Property
Cp,gas 609.14 J/mol×K 353.78 Calculated Property
Cp,gas 707.05 J/mol×K 434.56 Calculated Property
Cp,gas 793.95 J/mol×K 515.33 Calculated Property
Cp,gas 870.42 J/mol×K 596.11 Calculated Property
Cp,gas 937.06 J/mol×K 676.89 Calculated Property
Cp,gas 994.46 J/mol×K 757.67 Calculated Property
Cp,gas 1043.22 J/mol×K 838.44 Calculated Property
Cp,gas 1083.92 J/mol×K 919.22 Calculated Property
Cp,gas 1117.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, tetradecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, 2,3,4-trifluorophenyl undecyl ester. Dimethylmalonic acid, heptadecyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, octyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, decyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, nonyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, hexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, pentyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,4-trifluorophenyl ester. Dimethylmalonic acid, butyl 2,3,4-trifluorophenyl ester. Diethylmalonic acid, octyl 2,3,4-trifluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, dodecyl 2,3,4-trifluorophenyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.