Chemical Properties of Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester

Phthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester

InChI
InChI=1S/C16H8F14O4/c17-11(18,13(21,22)15(25,26)27)5-33-9(31)7-3-1-2-4-8(7)10(32)34-6-12(19,20)14(23,24)16(28,29)30/h1-4H,5-6H2
InChI Key
PKCVOGXIHIKWOT-UHFFFAOYSA-N
Formula
C16H8F14O4
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
530.21
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 -3569.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.22 kJ/mol Joback Calculated Property
ΔvapH° 83.53 kJ/mol Relay (1.0) Calculated Property
log10WS -7.72 Relay (1.0) Calculated Property
logPoct/wat 5.666 Crippen Calculated Property
McVol 252.200 ml/mol McGowan Calculated Property
Pc 1153.78 kPa Joback Calculated Property
Inp [2447.00; 2447.00]   Show Hide
Inp 2447.00 NIST
Inp 2447.00 NIST
Tboil 559.64 K Relay (1.0) Calculated Property
Tfus 311.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 [428.89; 847.23] 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-4.20080e+01
Coefficient B2.19580e+00
Coefficient C-1.88196e-03
Coefficient D5.75400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 428.89 J/mol×K 273.00 Calculated Property
Cp,gas 524.75 J/mol×K 353.78 Calculated Property
Cp,gas 604.02 J/mol×K 434.56 Calculated Property
Cp,gas 668.52 J/mol×K 515.33 Calculated Property
Cp,gas 720.07 J/mol×K 596.11 Calculated Property
Cp,gas 760.48 J/mol×K 676.89 Calculated Property
Cp,gas 791.59 J/mol×K 757.67 Calculated Property
Cp,gas 815.20 J/mol×K 838.44 Calculated Property
Cp,gas 833.14 J/mol×K 919.22 Calculated Property
Cp,gas 847.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phthalic acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Phthalic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester. 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester. Phthalic acid, heptadecyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester. Phthalic acid, decyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester.

Find more compounds similar to Phthalic acid, di(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.