Chemical Properties of 2-(Methylthio)benzoic acetic anhydride

2-(Methylthio)benzoic acetic anhydride

InChI
InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-5-3-4-6-9(8)14-2/h3-6H,1-2H3
InChI Key
SKDGBKDZOSXRQZ-UHFFFAOYSA-N
Formula
C10H10O3S
SMILES
CSc1ccccc1C(=O)OC(C)=O
Molecular Weight1
210.25
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Physical Properties

Property Value Unit Source
ΔfH°gas -452.83 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.41 kJ/mol Joback Calculated Property
IE 8.32 eV Relay (1.0) Calculated Property
log10WS -2.60 Relay (1.0) Calculated Property
logPoct/wat 2.112 Crippen Calculated Property
McVol 153.360 ml/mol McGowan Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Tboil 576.20 K Relay (1.0) Calculated Property
Tfus 281.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [360.48; 419.79] J/mol×K [640.93; 878.18] Show Hide
Cp,gas 360.48 J/mol×K 640.93 Joback Calculated Property
Cp,gas 372.70 J/mol×K 680.47 Joback Calculated Property
Cp,gas 383.98 J/mol×K 720.01 Joback Calculated Property
Cp,gas 394.32 J/mol×K 759.55 Joback Calculated Property
Cp,gas 403.74 J/mol×K 799.10 Joback Calculated Property
Cp,gas 412.22 J/mol×K 838.64 Joback Calculated Property
Cp,gas 419.79 J/mol×K 878.18 Joback Calculated Property

Similar Compounds

2-(Methylthio)benzoic trifluoroacetic anhydride. Benzoic acid, 2-(methylthio)-, tert.-butyl ester. Benzoic acid, 2-(methylthio)-, ethyl ester. 2-(Methylthio)benzoic acid anhydride. Benzoic acid, 2-(methylthio)-, isopropyl ester. 3-(Methylthio)benzoic pentafluoropropionic anhydride. 2-(Methylthio)benzoic pentafluoropropionic anhydride. Benzoic acid, 2-(methylthio)-, methyl ester. Acetic 2-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 2-(methylthio)-, propyl ester. Benzoic acid, 2-(ethylthio)-, ethyl ester. 3-(Methylthio)benzoic acetic anhydride. Benzoic acid, 2-(methylthio)-, neopentyl ester. 3-(Methylthio)benzoic heptafluorobutyric anhydride. 2-(Methylthio)benzoic heptafluorobutyric anhydride.

Find more compounds similar to 2-(Methylthio)benzoic acetic anhydride.

Sources

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