Chemical Properties of 2-Amino-1-naphthalenesulfonic acid (CAS 81-16-3)

InChI

InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)

InChI Key

GWIAAIUASRVOIA-UHFFFAOYSA-N

Formula

C10H9NO3S

SMILES

Nc1ccc2ccccc2c1S(=O)(=O)O

Molecular Weight¹

223.25

CAS

81-16-3

Other Names

• 1-Naphthalenesulfonic acid, 2-amino-
• 2-Naphthylamine-1-sulfonic acid
• 2-aminonaphthalene-1-sulphonic acid
• Kyselina 2-naftylamin-1-sulfonova
• Kyselina tobiasova
• Tobias acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Standard Gibbs free energy of formation, Acentric Factor 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	[203.35; 443.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.07000e+00
Coefficient B			8.81690e-01
Coefficient C			-5.62240e-04
Coefficient D			1.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.35	J/mol×K	273.00	Calculated Property
Cp,gas	249.03	J/mol×K	353.78	Calculated Property
Cp,gas	289.07	J/mol×K	434.56	Calculated Property
Cp,gas	323.84	J/mol×K	515.33	Calculated Property
Cp,gas	353.75	J/mol×K	596.11	Calculated Property
Cp,gas	379.17	J/mol×K	676.89	Calculated Property
Cp,gas	400.49	J/mol×K	757.67	Calculated Property
Cp,gas	418.10	J/mol×K	838.44	Calculated Property
Cp,gas	432.38	J/mol×K	919.22	Calculated Property
Cp,gas	443.72	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-1-naphthalenesulfonic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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