Chemical Properties of Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester

Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI
InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3
InChI Key
QVGZVUXDHYKBQR-UHFFFAOYSA-N
Formula
C15H21F7O4
SMILES
CCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
398.31
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 -2384.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.25 kJ/mol Joback Calculated Property
ΔvapH° 75.29 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.512 Crippen Calculated Property
McVol 249.480 ml/mol McGowan Calculated Property
Inp [1372.00; 1372.00]   Show Hide
Inp 1372.00 NIST
Inp 1372.00 NIST
Tboil 511.34 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [407.91; 864.78] 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 A-1.51840e+01
Coefficient B1.90506e+00
Coefficient C-1.40500e-03
Coefficient D3.79900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 407.91 J/mol×K 273.00 Calculated Property
Cp,gas 499.76 J/mol×K 353.78 Calculated Property
Cp,gas 578.53 J/mol×K 434.56 Calculated Property
Cp,gas 645.42 J/mol×K 515.33 Calculated Property
Cp,gas 701.65 J/mol×K 596.11 Calculated Property
Cp,gas 748.41 J/mol×K 676.89 Calculated Property
Cp,gas 786.90 J/mol×K 757.67 Calculated Property
Cp,gas 818.32 J/mol×K 838.44 Calculated Property
Cp,gas 843.88 J/mol×K 919.22 Calculated Property
Cp,gas 864.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester. Diethylmalonic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tridecyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl tetradecyl ester.

Find more compounds similar to Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl 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.