Chemical Properties of 3-CH3S-C6H4-COOCH3 (CAS 90721-40-7)

3-CH3S-C6H4-COOCH3

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InChI
InChI=1S/C9H10O2S/c1-11-9(10)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChI Key
BARUUYSVNQNBAI-UHFFFAOYSA-N
Formula
C9H10O2S
SMILES
COC(=O)c1cccc(SC)c1
Molecular Weight1
182.24
CAS
90721-40-7
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Physical Properties

Property Value Unit Source
Δf -73.12 kJ/mol Joback Calculated Property
Δfgas -206.96 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 54.54 kJ/mol Joback Calculated Property
log10WS -2.46 Crippen Calculated Property
logPoct/wat 2.195 Crippen Calculated Property
McVol 137.700 ml/mol McGowan Calculated Property
Pc 3448.03 kPa Joback Calculated Property
Inp [1537.00; 1540.50]   Show Hide
Inp 1540.50 NIST
Inp 1537.00 NIST
Tboil 582.05 K Joback Calculated Property
Tc 819.33 K Joback Calculated Property
Tfus 336.69 K Joback Calculated Property
Vc 0.509 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [303.44; 366.72] J/mol×K [582.05; 819.33] Show Hide
Cp,gas 303.44 J/mol×K 582.05 Joback Calculated Property
Cp,gas 315.94 J/mol×K 621.60 Joback Calculated Property
Cp,gas 327.66 J/mol×K 661.14 Joback Calculated Property
Cp,gas 338.59 J/mol×K 700.69 Joback Calculated Property
Cp,gas 348.75 J/mol×K 740.23 Joback Calculated Property
Cp,gas 358.12 J/mol×K 779.78 Joback Calculated Property
Cp,gas 366.72 J/mol×K 819.33 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-(methylthio)-, ethyl ester. 3-(Methylthio)benzoic trifluoroacetic anhydride. 3-(Methylthio)benzoic acetic anhydride. Benzoic acid, 3-(methylthio)-, isopropyl ester. Benzoic acid, 3-(methylthio)-. 3-CH3SO2-C6H4-COOCH3. Benzoic acid, 3-(methylthio)-, neopentyl ester. Benzoic acid, 3-(methylthio)-, propyl ester. Benzoic acid, 3-(ethylthio)-, ethyl ester. Benzoic acid, 3-(methylthio)-, 2-methylpropyl ester. Benzoic acid, 2-(methylthio)-, methyl ester. 3-(Methylthio)benzoic acid, trimethylsilyl ester. Benzoic acid, 3-(methylthio)-, butyl ester. 4-Mercaptobenzoic acid, S-methyl-, methyl ester. 3-(Methylthio)benzoic acid, 3-bromobenzyl ester.

Find more compounds similar to 3-CH3S-C6H4-COOCH3.

Sources

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