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

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

InChI
InChI=1S/C9H9ClF8O2/c10-3-1-2-5(19)20-4-7(13,14)9(17,18)8(15,16)6(11)12/h6H,1-4H2
InChI Key
NAZQCNNUKQMBEO-UHFFFAOYSA-N
Formula
C9H9ClF8O2
SMILES
O=C(CCCCl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
336.61
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Physical Properties

Property Value Unit Source
ΔfH°gas -2107.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.51 kJ/mol Joback Calculated Property
ΔvapH° 65.10 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.720 Crippen Calculated Property
McVol 171.510 ml/mol McGowan Calculated Property
Inp [1193.00; 1213.00]   Show Hide
Inp 1193.00 NIST
Inp 1213.00 NIST
Inp 1193.00 NIST
Tboil 471.97 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 [287.04; 561.53] 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 A6.63400e+00
Coefficient B1.28850e+00
Coefficient C-1.04140e-03
Coefficient D3.07800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 287.04 J/mol×K 273.00 Calculated Property
Cp,gas 345.77 J/mol×K 353.78 Calculated Property
Cp,gas 395.16 J/mol×K 434.56 Calculated Property
Cp,gas 436.20 J/mol×K 515.33 Calculated Property
Cp,gas 469.86 J/mol×K 596.11 Calculated Property
Cp,gas 497.12 J/mol×K 676.89 Calculated Property
Cp,gas 518.94 J/mol×K 757.67 Calculated Property
Cp,gas 536.30 J/mol×K 838.44 Calculated Property
Cp,gas 550.17 J/mol×K 919.22 Calculated Property
Cp,gas 561.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Glutaric acid, monochloride , 2,2,3,3,4,4,5,5-octafluoropentyl ester. 6-Chlorohexanoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,3-pentafluoropropyl ester. 4-Bromobutyric acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3-tetrafluoropropyl ester. Glutaric acid, ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Adipic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluoroethyl ester. Sebacic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Succinic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2-dichloroethyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl propyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl neopentyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,3-pentafluoropropyl ester.

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

Sources

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