Chemical Properties of Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C12H8F8O2/c13-9(14)11(17,18)12(19,20)10(15,16)6-22-8(21)7-4-2-1-3-5-7/h1-5,9H,6H2
InChI Key
ADLMAOYQCWHQOF-UHFFFAOYSA-N
Formula
C12H8F8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1
Molecular Weight1
336.18
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
ω 0.6138 Relay (1.0) Calculated Property
ΔfusH° 24.12 kJ/mol Joback Calculated Property
ΔvapH° 73.15 kJ/mol Relay (1.0) Calculated Property
IE 9.87 eV Relay (1.0) Calculated Property
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 4.014 Crippen Calculated Property
McVol 177.780 ml/mol McGowan Calculated Property
Pc 1843.58 kPa Joback Calculated Property
Inp 1312.00 NIST
Tboil 517.85 K Relay (1.0) Calculated Property
Tc 697.93 K Relay (1.0) Calculated Property
Tfus 290.38 K Relay (1.0) Calculated Property
Vc 0.667 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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 [280.02; 589.51] 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-4.28890e+01
Coefficient B1.48780e+00
Coefficient C-1.21540e-03
Coefficient D3.60000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 280.02 J/mol×K 273.00 Calculated Property
Cp,gas 347.28 J/mol×K 353.78 Calculated Property
Cp,gas 403.67 J/mol×K 434.56 Calculated Property
Cp,gas 450.32 J/mol×K 515.33 Calculated Property
Cp,gas 488.37 J/mol×K 596.11 Calculated Property
Cp,gas 518.97 J/mol×K 676.89 Calculated Property
Cp,gas 543.24 J/mol×K 757.67 Calculated Property
Cp,gas 562.33 J/mol×K 838.44 Calculated Property
Cp,gas 577.37 J/mol×K 919.22 Calculated Property
Cp,gas 589.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2,4-Difluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Terephthalic acid, di(2,2,3,3,4,4,4-heptafluorobutyl) ester.

Find more compounds similar to Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 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.