Chemical Properties of Benzoic acid, 2-hydroxy-5-sulfo- (CAS 97-05-2)

InChI

InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)

InChI Key

YCPXWRQRBFJBPZ-UHFFFAOYSA-N

Formula

C7H6O6S

SMILES

O=C(O)c1cc(S(=O)(=O)O)ccc1O

Molecular Weight¹

218.18

CAS

97-05-2

Other Names

• 2-Hydroxy-5-sulfobenzoic acid
• 2-Hydroxybenzoic-5-sulfonic acid
• 3-Carboxy-4-hydroxybenzenesulfonic acid
• 5-Sulfosalicylic acid
• 5-Sulphosalicylic acid
• Benzoic acid, 2-hydroxysulfo-
• NSC 190565
• Salicylic acid, 5-sulfo-
• Salicylic acid, sulfo-
• Salicylsulfonic acid
• Sulfosalicylic acid
• Sulphosalicylic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-914.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1010.45	kJ/mol	Joback Calculated Property
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
ΔvapH°	105.87	kJ/mol	Joback Calculated Property
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	0.337		Crippen Calculated Property
McVol	133.000	ml/mol	McGowan Calculated Property
Pc	9555.40	kPa	Joback Calculated Property
Inp	[1265.00; 1265.00]
Inp	1265.00		NIST
Inp	1265.00		NIST
Tboil	757.85	K	Joback Calculated Property
Tc	959.53	K	Joback Calculated Property
Tfus	529.44	K	Joback Calculated Property
Vc	0.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.55; 372.29]	J/mol×K	[757.85; 959.53]
Cp,gas	342.55	J/mol×K	757.85	Joback Calculated Property
Cp,gas	348.46	J/mol×K	791.46	Joback Calculated Property
Cp,gas	353.95	J/mol×K	825.08	Joback Calculated Property
Cp,gas	359.04	J/mol×K	858.69	Joback Calculated Property
Cp,gas	363.77	J/mol×K	892.30	Joback Calculated Property
Cp,gas	368.18	J/mol×K	925.92	Joback Calculated Property
Cp,gas	372.29	J/mol×K	959.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-5-sulfo-.

Mixtures

• Benzoic acid, 2-hydroxy-5-sulfo- + Water + Iminodiacetic acid
• Carbon dioxide + Benzoic acid, 2-hydroxy-5-sulfo-
• Carbon dioxide + Benzoic acid, 2-hydroxy-5-sulfo- + 4-aminobenzoic acid

Sources

• Crippen Method
• Crippen Method
• Volumetric approach to the interaction of diglycine in aqueous solutions of sulpha drugs at T = 288.15 to 308.15 K
• Mixed Solubilities of 5-Sulfosalicylic Acid and p-Aminobenzoic Acid in Supercritical Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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