Chemical Properties of Benzenecarbothioic acid (CAS 98-91-9)

Benzenecarbothioic acid

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InChI
InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key
UIJGNTRUPZPVNG-UHFFFAOYSA-N
Formula
C7H6OS
SMILES
O=C(S)c1ccccc1
Molecular Weight1
138.19
CAS
98-91-9
Other Names
  • Benzoic acid, thio-
  • Benzoyl thiol
  • Monothiobenzoic acid
  • Thiobenzoic acid
  • Acido mercaptobenzoico
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Physical Properties

Property Value Unit Source
Δf 20.94 kJ/mol Joback Calculated Property
Δfgas -25.38 kJ/mol Joback Calculated Property
Δfus 13.57 kJ/mol Joback Calculated Property
Δvap 46.94 kJ/mol Joback Calculated Property
IE [9.00; 9.60] eV Show Hide
IE 9.00 eV NIST
IE 9.60 eV NIST
log10WS -2.28 Crippen Calculated Property
logPoct/wat 1.757 Crippen Calculated Property
McVol 103.650 ml/mol McGowan Calculated Property
Pc 4876.56 kPa Joback Calculated Property
Tboil 502.97 K Joback Calculated Property
Tc 753.25 K Joback Calculated Property
Tfus 281.46 K Joback Calculated Property
Vc 0.380 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [194.06; 246.57] J/mol×K [502.97; 753.25] Show Hide
Cp,gas 194.06 J/mol×K 502.97 Joback Calculated Property
Cp,gas 204.74 J/mol×K 544.68 Joback Calculated Property
Cp,gas 214.60 J/mol×K 586.40 Joback Calculated Property
Cp,gas 223.67 J/mol×K 628.11 Joback Calculated Property
Cp,gas 232.00 J/mol×K 669.82 Joback Calculated Property
Cp,gas 239.61 J/mol×K 711.54 Joback Calculated Property
Cp,gas 246.57 J/mol×K 753.25 Joback Calculated Property

Similar Compounds

Benzenecarbothioic acid, S-methyl ester. s-Hydroxymethylthiobenzoate. Benzoyl fluoride. Benzenemethanethiol. benzoate anion. Benzaldehyde. Benzoyl bromide. Benzoyl chloride. Benzoyl isothiocyanate. Benzoyl isocyanate. Benzamide. Benzoic acid. sodium benzoate. perbenzoic acid. Benzophenone.

Find more compounds similar to Benzenecarbothioic acid.

Sources

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