Chemical Properties of 1-Amino-8-naphthol-3,6-disulfonic acid

InChI

InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

InChI Key

APRRQJCCBSJQOQ-UHFFFAOYSA-N

Formula

C10H9NO7S2

SMILES

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

Molecular Weight¹

319.32

Other Names

• 4-amino-5-hydroxynaphthalene-2,7-disulphonic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[281.31; 551.00]	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			4.59800e+01
Coefficient B			1.04438e+00
Coefficient C			-7.16360e-04
Coefficient D			1.77000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.31	J/mol×K	273.00	Calculated Property
Cp,gas	333.64	J/mol×K	353.78	Calculated Property
Cp,gas	379.07	J/mol×K	434.56	Calculated Property
Cp,gas	418.16	J/mol×K	515.33	Calculated Property
Cp,gas	451.48	J/mol×K	596.11	Calculated Property
Cp,gas	479.58	J/mol×K	676.89	Calculated Property
Cp,gas	503.02	J/mol×K	757.67	Calculated Property
Cp,gas	522.37	J/mol×K	838.44	Calculated Property
Cp,gas	538.17	J/mol×K	919.22	Calculated Property
Cp,gas	551.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Amino-8-naphthol-3,6-disulfonic acid.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.