Chemical Properties of 3-Amino-p-toluene sulfonic acid

3-Amino-p-toluene sulfonic acid

InChI
InChI=1S/C7H9NO3S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key
FJHGMUDVUAXUEK-UHFFFAOYSA-N
Formula
C7H9NO3S
SMILES
Cc1ccc(S(=O)(=O)O)c(N)c1
Molecular Weight1
187.22
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Physical Properties

Property Value Unit Source
ω 0.7953 Relay (1.0) Calculated Property
ΔfusH° 27.81 kJ/mol Joback Calculated Property
ΔvapH° 105.43 kJ/mol Relay (1.0) Calculated Property
IE 8.45 eV Relay (1.0) Calculated Property
logPoct/wat 0.824 Crippen Calculated Property
McVol 129.670 ml/mol McGowan Calculated Property
Pc 6056.11 kPa Joback Calculated Property
Tboil 606.80 K Relay (1.0) Calculated Property
Tc 892.25 K Relay (1.0) Calculated Property
Tfus 495.46 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [180.71; 379.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.62400e+01
Coefficient B6.00410e-01
Coefficient C-2.62320e-04
Coefficient D5.40000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 180.71 J/mol×K 273.00 Calculated Property
Cp,gas 216.06 J/mol×K 353.78 Calculated Property
Cp,gas 248.06 J/mol×K 434.56 Calculated Property
Cp,gas 276.73 J/mol×K 515.33 Calculated Property
Cp,gas 302.08 J/mol×K 596.11 Calculated Property
Cp,gas 324.14 J/mol×K 676.89 Calculated Property
Cp,gas 342.91 J/mol×K 757.67 Calculated Property
Cp,gas 358.43 J/mol×K 838.44 Calculated Property
Cp,gas 370.69 J/mol×K 919.22 Calculated Property
Cp,gas 379.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzenesulfonic acid, 2-amino-5-chloro-4-ethyl-. O-AMINOBENZENESULFONIC ACID. 4-Amino-6-methyl-1,3-benzenedisulfonamide. 1-aminonaphthalene-2-sulfonic acid. 5-Nitro-o-toluene sulfonic acid. Aniline, 4-(n,n-dimethylamino)-2-(p-tolylsulfonyl)-. Thioxanthene-3,7-diamine, 10,10-dioxide. hydroflumethiazide. Benzenesulfonamide, 5-amino-2-methyl-N-phenyl-. Aniline, 4-(n,n-diethylamino)-2-(p-tolylsulfonyl)-. 2-methyl-5-nitrobenzenesulfonic acid. 4,4'-Bis[7-(1-amino-8-hydroxy-2,4-disulfo)-naphthylazo]-3,3'-bitolyl tetrasodium salt. Evans blue. Aniline, 4-(n,n-dimethylamino)-2-(3,4-dimethylphenylsulfonyl)-. 1-Amino-2-methoxy-4-p-tolylsulfonamido-anthraquinone.

Find more compounds similar to 3-Amino-p-toluene sulfonic acid.

Sources

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