Chemical Properties of Benzoic acid, 3-mercapto- (CAS 4869-59-4)

Benzoic acid, 3-mercapto-

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InChI
InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
InChI Key
RSFDFESMVAIVKO-UHFFFAOYSA-N
Formula
C7H6O2S
SMILES
O=C(O)c1cccc(S)c1
Molecular Weight1
154.19
CAS
4869-59-4
Other Names
  • 3-Mercaptobenzoic acid
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Physical Properties

Property Value Unit Source
Δf -125.51 kJ/mol Joback Calculated Property
Δfgas -189.08 kJ/mol Joback Calculated Property
Δfus 17.27 kJ/mol Joback Calculated Property
Δvap 64.28 kJ/mol Joback Calculated Property
log10WS -2.05 Crippen Calculated Property
logPoct/wat 1.673 Crippen Calculated Property
McVol 109.520 ml/mol McGowan Calculated Property
Pc 5446.55 kPa Joback Calculated Property
Inp [1490.00; 1490.00]   Show Hide
Inp 1490.00 NIST
Inp 1490.00 NIST
Tboil 600.13 K Joback Calculated Property
Tc 829.79 K Joback Calculated Property
Tfus 354.80 K Joback Calculated Property
Vc 0.399 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [231.89; 272.77] J/mol×K [600.13; 829.79] Show Hide
Cp,gas 231.89 J/mol×K 600.13 Joback Calculated Property
Cp,gas 240.11 J/mol×K 638.41 Joback Calculated Property
Cp,gas 247.73 J/mol×K 676.68 Joback Calculated Property
Cp,gas 254.78 J/mol×K 714.96 Joback Calculated Property
Cp,gas 261.28 J/mol×K 753.24 Joback Calculated Property
Cp,gas 267.27 J/mol×K 791.51 Joback Calculated Property
Cp,gas 272.77 J/mol×K 829.79 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-(methylthio)-. Benzoic acid, 2-mercapto-. Benzoic acid, 4-mercapto-. Benzoic acid, 3-(acetylthio)-. m-(Chlorosulfonyl)benzoic acid. Benzoic acid, 3-(trifluoroacetylthio)-. 3-(Fluorosulfonyl)benzoic acid. 3-Sulfamylbenzoic acid. M,m'-sulfonyl dibenzoic acid. Benzoic acid, o-mercapto-, methyl ester. Benzoic acid, 3-(pentafluoropropionylthio)-. 3-[(Dichloroamino)sulfonyl]benzoic acid. 3-CH3S-C6H4-COOCH3. Benzoic acid, thio-2,2'-di. M,p'-sulfonyl dibenzoic acid.

Find more compounds similar to Benzoic acid, 3-mercapto-.

Sources

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