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

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

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InChI
InChI=1S/C10H10O3S/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
InChI Key
BNPNCJLZIHWQEF-UHFFFAOYSA-N
Formula
C10H10O3S
SMILES
COC(=O)c1ccccc1SC(C)=O
Molecular Weight1
210.25
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Physical Properties

Property Value Unit Source
Δf -193.62 kJ/mol Joback Calculated Property
Δfgas -340.18 kJ/mol Joback Calculated Property
Δfus 23.82 kJ/mol Joback Calculated Property
Δvap 63.51 kJ/mol Joback Calculated Property
log10WS -2.65 Crippen Calculated Property
logPoct/wat 2.112 Crippen Calculated Property
McVol 153.360 ml/mol McGowan Calculated Property
Pc 3318.18 kPa Joback Calculated Property
Inp 1624.00 NIST
Tboil 658.80 K Joback Calculated Property
Tc 897.86 K Joback Calculated Property
Tfus 397.89 K Joback Calculated Property
Vc 0.572 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [362.90; 421.40] J/mol×K [658.80; 897.86] Show Hide
Cp,gas 362.90 J/mol×K 658.80 Joback Calculated Property
Cp,gas 374.85 J/mol×K 698.64 Joback Calculated Property
Cp,gas 385.92 J/mol×K 738.49 Joback Calculated Property
Cp,gas 396.11 J/mol×K 778.33 Joback Calculated Property
Cp,gas 405.42 J/mol×K 818.17 Joback Calculated Property
Cp,gas 413.85 J/mol×K 858.01 Joback Calculated Property
Cp,gas 421.40 J/mol×K 897.86 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(trifluoroacetylthio)-, methyl ester. Acetic 2-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 2-(ethylthio)-, methyl ester. Benzoic acid, 2-isopropylthio-, methyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester. Benzoic acid, 2-acetylthio-, trimethylsilyl ester. Benzoic acid, 2-(ethylthio)-, ethyl ester. Benzoic acid, 2-(propylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, methyl ester. Benzoic acid, 2-(heptafluorobutyrylthio)-, methyl ester. Benzoic acid, 2-(1-methylpropyl)thio-, methyl ester. Benzoic acid, 2-(isopropylthio)-, isopropyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, methyl ester. Benzoic acid, 2-(butylthio)-, methyl ester. Benzoic acid, 2-(methylthio)-, ethyl ester.

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

Sources

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