Chemical Properties of Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester

Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester

InChI
InChI=1S/C11H7F5O3S/c1-19-8(17)6-4-2-3-5-7(6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChI Key
SGBGVFTWUZAWOE-UHFFFAOYSA-N
Formula
C11H7F5O3S
SMILES
COC(=O)c1ccccc1SC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
314.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -1469.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.57 kJ/mol Joback Calculated Property
IE 9.21 eV Relay (1.0) Calculated Property
log10WS -4.59 Relay (1.0) Calculated Property
logPoct/wat 3.290 Crippen Calculated Property
McVol 176.300 ml/mol McGowan Calculated Property
Pc 2356.49 kPa Joback Calculated Property
Inp [1395.00; 1395.00]   Show Hide
Inp 1395.00 NIST
Inp 1395.00 NIST
Tboil 512.91 K Relay (1.0) Calculated Property
Tc 682.34 K Relay (1.0) Calculated Property
Tfus 283.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [456.46; 507.85] J/mol×K [653.70; 861.09] Show Hide
Cp,gas 456.46 J/mol×K 653.70 Joback Calculated Property
Cp,gas 467.26 J/mol×K 688.26 Joback Calculated Property
Cp,gas 477.10 J/mol×K 722.83 Joback Calculated Property
Cp,gas 486.03 J/mol×K 757.39 Joback Calculated Property
Cp,gas 494.10 J/mol×K 791.96 Joback Calculated Property
Cp,gas 501.36 J/mol×K 826.52 Joback Calculated Property
Cp,gas 507.85 J/mol×K 861.09 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(heptafluorobutyrylthio)-, methyl ester. Benzoic acid, 2-(trifluoroacetylthio)-, methyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-. Benzoic acid, 2-pentafluoropropionylthio-, trimethylsilyl ester. Benzoic acid, 2-(acetylthio)-, methyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, trimethylsilyl ester. Acetic 2-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 2-pentafluoropropionylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 2-isopropylthio-, methyl ester. Benzoic acid, 2-trifluoroacetylthio-, trimethylsilyl ester. Benzoic acid, 2-(ethylthio)-, methyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, methyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 2-(propylthio)-, methyl ester. Benzoic acid, 2-(ethylthio)-, ethyl ester.

Find more compounds similar to Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester.

Sources

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