Chemical Properties of P-toluene sulfonic acid (CAS 104-15-4)

P-toluene sulfonic acid

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InChI
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChI Key
JOXIMZWYDAKGHI-UHFFFAOYSA-N
Formula
C7H8O3S
SMILES
Cc1ccc(S(=O)(=O)O)cc1
Molecular Weight1
172.20
CAS
104-15-4
Other Names
  • 4-Methylbenzenesulfonic acid
  • 4-Toluenesulfonic acid
  • Ar-Toluenesulfonic acid
  • Benzenesulfonic acid, methyl-
  • Cyclophil P T S A
  • Cyzac 4040
  • Eltesol
  • K-Cure 1040
  • Kyselina p-toluenesulfonova
  • Kyselina p-toluensulfonova
  • Manro PTSA 65 E
  • Manro PTSA 65 H
  • Manro PTSA 65 LS
  • Methylbenzenesulfonic acid
  • NSC 167068
  • Nacure 1040
  • PTSA
  • Toluene-4-sulfonic acid
  • Toluene-p-sulfonate
  • Toluenesulfonic acid
  • Tosic acid
  • Tosylic acid
  • Tsa-hp
  • Tsa-mh
  • p-Methylbenzenesulfonic acid
  • p-Methylphenylsulfonic acid
  • p-Toluenesulfonate
  • p-Toluenesulfonic acid
  • p-Toluenesulphonic acid
  • p-Toluolenesulfonic acid
  • p-Tolylsulfonic acid
  • toluene-4-sulphonic acid
Sources

Physical Properties

Property Value Unit Source
Δf -494.52 kJ/mol Joback Calculated Property
Δfgas -568.33 kJ/mol Joback Calculated Property
Δfus 23.00 kJ/mol Joback Calculated Property
Δvap 69.43 kJ/mol Joback Calculated Property
logPoct/wat 1.242 Crippen Calculated Property
Pc 5678.82 kPa Joback Calculated Property
Tboil 531.18 K Joback Calculated Property
Tc 726.34 K Joback Calculated Property
Tfus 306.97 K Joback Calculated Property
Vc 0.465 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 255.31 J/mol×K 531.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-S- 1
=O 2
-CH3 1

Similar Compounds

P-toluene sulfonic acid monohydrate. P-toluenesulfonic acid, potassium salt. Noname. P-toluenesulfinic acid, sodium salt. Benzenesulfonic acid, 4-methyl-, methyl ester. Benzenesulfonic acid, 4-methyl-, ethyl ester. BENZENESULFONIC ACID. Noname. Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester. Ethanol, 2-chloro-, 4-methylbenzenesulfonate. 2-Propynyl p-Toluenesulfonate. P-toluenesulfonic acid, 2-fluoroethyl ester. Benzenesulfonic acid, 4-methyl-, butyl ester. Ethylene glycol di-p-toluenesulfonate. Isobutyl 4-methylbenzenesulfonate.

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