Chemical Properties of 3-CH3SO2-C6H4-COOCH3 (CAS 22821-69-8)

3-CH3SO2-C6H4-COOCH3

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InChI
InChI=1S/C9H10O4S/c1-13-9(10)7-4-3-5-8(6-7)14(2,11)12/h3-6H,1-2H3
InChI Key
QJLLSNKBORJJHO-UHFFFAOYSA-N
Formula
C9H10O4S
SMILES
COC(=O)c1cccc(S(C)(=O)=O)c1
Molecular Weight1
214.24
CAS
22821-69-8
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Physical Properties

Property Value Unit Source
PAff 830.50 kJ/mol NIST
BasG 799.50 kJ/mol NIST
Δf -574.78 kJ/mol Joback Calculated Property
Δfgas -702.18 kJ/mol Joback Calculated Property
Δfus 26.88 kJ/mol Joback Calculated Property
Δvap 66.36 kJ/mol Joback Calculated Property
log10WS -1.41 Crippen Calculated Property
logPoct/wat 0.877 Crippen Calculated Property
McVol 149.440 ml/mol McGowan Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Tboil 561.05 K Joback Calculated Property
Tc 770.42 K Joback Calculated Property
Tfus 340.85 K Joback Calculated Property
Vc 0.582 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [333.82; 398.61] J/mol×K [561.05; 770.42] Show Hide
Cp,gas 333.82 J/mol×K 561.05 Joback Calculated Property
Cp,gas 346.41 J/mol×K 595.94 Joback Calculated Property
Cp,gas 358.29 J/mol×K 630.84 Joback Calculated Property
Cp,gas 369.46 J/mol×K 665.73 Joback Calculated Property
Cp,gas 379.90 J/mol×K 700.63 Joback Calculated Property
Cp,gas 389.62 J/mol×K 735.52 Joback Calculated Property
Cp,gas 398.61 J/mol×K 770.42 Joback Calculated Property

Similar Compounds

3-CH3S-C6H4-COOCH3. 4-CH3SO2-C6H4-COOCH3. Benzoic acid, 3-(methylthio)-, ethyl ester. 3-(Methylthio)benzoic acetic anhydride. 3-(Methylthio)benzoic trifluoroacetic anhydride. 3-SO2F-C6H4-COOCH3. Benzoic acid, 3-(methylthio)-, propyl ester. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 3-(ethylthio)-, ethyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. Benzoic acid, 3-(methylthio)-, neopentyl ester. 3-(Methylthio)benzoic acid, 3-bromobenzyl ester. Benzoic acid, 3-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 3-(methylthio)-, pentyl ester. 3-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester.

Find more compounds similar to 3-CH3SO2-C6H4-COOCH3.

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