Chemical Properties of Benzoic acid, 4-(pentafluoropropionylthio)-

Benzoic acid, 4-(pentafluoropropionylthio)-

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InChI
InChI=1S/C10H5F5O3S/c11-9(12,10(13,14)15)8(18)19-6-3-1-5(2-4-6)7(16)17/h1-4H,(H,16,17)
InChI Key
HNRYQPURFRFAGK-UHFFFAOYSA-N
Formula
C10H5F5O3S
SMILES
O=C(O)c1ccc(SC(=O)C(F)(F)C(F)(F)F)cc1
Molecular Weight1
300.20
Sources

Physical Properties

Property Value Unit Source
Δf -1193.81 kJ/mol Joback Calculated Property
Δfgas -1358.24 kJ/mol Joback Calculated Property
Δfus 27.30 kJ/mol Joback Calculated Property
Δvap 71.10 kJ/mol Joback Calculated Property
logPoct/wat 3.20 Crippen Calculated Property
Pc 3038.96 kPa Joback Calculated Property
Tboil 718.45 K Joback Calculated Property
Tc 920.35 K Joback Calculated Property
Tfus 444.27 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 429.72 J/mol×K 718.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-F 5
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-S- 1
>C< 2
>C=O (nonring) 2

Similar Compounds

Benzoic acid, 4-pentafluoropropionylthio-, trimethylsilyl ester. Benzoic acid, 4-(heptafluorobutyrylthio)-. Benzoic acid, 3-pentafluoropropionylthio-, tert.-butyldimethylsilyl ester. Benzoic acid, 3-(heptafluorobutyrylthio)-. Benzoic acid, 3-heptafluorobutyrylthio-, trimethylsilyl ester. Benzoic acid, 2-pentafluoropropionylthio-, tert.-butyldimethylsilyl ester. 3-(Heptafluorobutyrylthio)benzoyl chloride. Benzoic acid, 4-(acetylthio)-. 4-(Trifluoroacetylthio)benzoic trifluoroacetic anhydride. Acetic 4-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 4-(propylthio)-, propyl ester. Benzoic acid, 3-trifluoroacetylthio-, trimethylsilyl ester. Benzoic acid, 4-(butylthio)-, butyl ester. Benzoic acid, 4-(2-methylpropyl)thio-, 2-methylpropyl ester. Benzoic acid, 4-(1-methylpropyl)thio)-, 1-methylpropyl ester.

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