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

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

InChI
InChI=1S/C12H7F7O3S/c1-22-8(20)6-4-2-3-5-7(6)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3
InChI Key
WTDRLHGFTIFOMF-UHFFFAOYSA-N
Formula
C12H7F7O3S
SMILES
COC(=O)c1ccccc1SC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
364.24
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Physical Properties

Property Value Unit Source
ΔfH°gas -1884.59 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.90 kJ/mol Joback Calculated Property
IE 9.27 eV Relay (1.0) Calculated Property
log10WS -5.34 Relay (1.0) Calculated Property
logPoct/wat 3.925 Crippen Calculated Property
McVol 193.930 ml/mol McGowan Calculated Property
Pc 2016.32 kPa Joback Calculated Property
Inp [1432.00; 1432.00]   Show Hide
Inp 1432.00 NIST
Inp 1432.00 NIST
Tboil 523.81 K Relay (1.0) Calculated Property
Tc 688.30 K Relay (1.0) Calculated Property
Tfus 278.55 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 [525.17; 575.38] J/mol×K [671.89; 870.10] Show Hide
Cp,gas 525.17 J/mol×K 671.89 Joback Calculated Property
Cp,gas 535.78 J/mol×K 704.92 Joback Calculated Property
Cp,gas 545.40 J/mol×K 737.96 Joback Calculated Property
Cp,gas 554.12 J/mol×K 770.99 Joback Calculated Property
Cp,gas 561.97 J/mol×K 804.03 Joback Calculated Property
Cp,gas 569.04 J/mol×K 837.06 Joback Calculated Property
Cp,gas 575.38 J/mol×K 870.10 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, trimethylsilyl ester. Benzoic acid, 2-(trifluoroacetylthio)-, methyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-. Benzoic acid, 2-pentafluoropropionylthio-, trimethylsilyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 3-(heptafluorobutyrylthio)-. Benzoic acid, 2-(acetylthio)-, methyl ester. Benzoic acid, 3-heptafluorobutyrylthio-, trimethylsilyl ester. Benzoic acid, 2-pentafluoropropionylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 4-(heptafluorobutyrylthio)-. Benzoic acid, 3-heptafluorobutyrylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 4-heptafluorobutyrylthio-, trimethylsilyl ester. 2-(Methylthio)benzoic acid, 2-chlorophenethyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, 2-methylpropyl ester.

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

Sources

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