Chemical Properties of Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester

Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C13H21F3O4/c1-5-8-19-10(17)12(6-2,7-3)11(18)20-9(4)13(14,15)16/h9H,5-8H2,1-4H3
InChI Key
DZFQJFWLMLPZFU-UHFFFAOYSA-N
Formula
C13H21F3O4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F
Molecular Weight1
298.30
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
ΔfH°gas -1570.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.05 kJ/mol Joback Calculated Property
ΔvapH° 67.86 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.240 Crippen Calculated Property
McVol 214.220 ml/mol McGowan Calculated Property
Pc 1543.92 kPa Joback Calculated Property
Inp 1247.00 NIST
Tboil 491.52 K Relay (1.0) Calculated Property
Tc 661.26 K Relay (1.0) Calculated Property
Tfus 271.06 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [335.30; 730.91] 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 A9.53400e+00
Coefficient B1.42218e+00
Coefficient C-8.90200e-04
Coefficient D1.89400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 335.30 J/mol×K 273.00 Calculated Property
Cp,gas 409.64 J/mol×K 353.78 Calculated Property
Cp,gas 474.99 J/mol×K 434.56 Calculated Property
Cp,gas 531.94 J/mol×K 515.33 Calculated Property
Cp,gas 581.10 J/mol×K 596.11 Calculated Property
Cp,gas 623.06 J/mol×K 676.89 Calculated Property
Cp,gas 658.42 J/mol×K 757.67 Calculated Property
Cp,gas 687.79 J/mol×K 838.44 Calculated Property
Cp,gas 711.75 J/mol×K 919.22 Calculated Property
Cp,gas 730.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, butyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, isobutyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, octadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, pentadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptadecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester. Diethylmalonic acid, 1,1,1-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl propyl ester.

Find more compounds similar to Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl 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.