Chemical Properties of Benzoic acid, 2,6-dihydroxy- (CAS 303-07-1)

InChI

InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)

InChI Key

AKEUNCKRJATALU-UHFFFAOYSA-N

Formula

C7H6O4

SMILES

O=C(O)c1c(O)cccc1O

Molecular Weight¹

154.12

CAS

303-07-1

Other Names

• 2,6-Resorcylic acid
• 2,6-dihydroxybenzoic acid
• 2-Carboxyresorcinol
• 6-Hydroxysalicylic acid
• «gamma»-Resorcylic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation 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
ω	0.8524		Relay (1.0) Calculated Property
ΔfG°	-532.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.00	kJ/mol	Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus
ΔsubH°	109.10 ± 1.00	kJ/mol	NIST
ΔvapH°	90.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-2.16		Relay (1.0) Calculated Property
logPoct/wat	0.796		Crippen Calculated Property
McVol	104.910	ml/mol	McGowan Calculated Property
Pc	7280.22	kPa	Joback Calculated Property
Inp	[1397.00; 1397.00]
Inp	1397.00		NIST
Inp	1397.00		NIST
Tboil	547.56	K	Relay (1.0) Calculated Property
Tc	868.06	K	Relay (1.0) Calculated Property
Tfus	440.20	K	Measurement and Correlation of the Solubility of 2,6-Dihydroxybenzoic Acid in Alcohols and Binary Solvents
Vc	0.350	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	107.50 ± 1.00	kJ/mol	356.00	NIST
Psub	[1.31e-04; 8.81e-04]	kPa	[347.14; 365.17]
Psub	1.38e-04	kPa	347.14	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	1.31e-04	kPa	347.14	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	1.33e-04	kPa	347.14	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	1.71e-04	kPa	349.32	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	1.73e-04	kPa	349.32	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	2.04e-04	kPa	351.02	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	2.08e-04	kPa	351.02	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	2.55e-04	kPa	353.26	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	2.49e-04	kPa	353.26	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	3.36e-04	kPa	355.35	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	3.23e-04	kPa	355.35	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	4.01e-04	kPa	357.20	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	3.91e-04	kPa	357.20	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	3.86e-04	kPa	357.20	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	4.91e-04	kPa	359.28	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	4.77e-04	kPa	359.28	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	4.79e-04	kPa	359.28	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	6.09e-04	kPa	361.38	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	5.90e-04	kPa	361.38	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	5.86e-04	kPa	361.38	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	7.13e-04	kPa	363.19	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	6.92e-04	kPa	363.19	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	6.79e-04	kPa	363.19	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	8.81e-04	kPa	365.17	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	8.45e-04	kPa	365.17	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
Psub	8.34e-04	kPa	365.17	Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.12; 317.56]	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			-5.06200e+01
Coefficient B			9.49900e-01
Coefficient C			-9.73520e-04
Coefficient D			3.91800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.12	J/mol×K	273.00	Calculated Property
Cp,gas	180.94	J/mol×K	353.78	Calculated Property
Cp,gas	210.48	J/mol×K	434.56	Calculated Property
Cp,gas	233.98	J/mol×K	515.33	Calculated Property
Cp,gas	252.68	J/mol×K	596.11	Calculated Property
Cp,gas	267.82	J/mol×K	676.89	Calculated Property
Cp,gas	280.64	J/mol×K	757.67	Calculated Property
Cp,gas	292.38	J/mol×K	838.44	Calculated Property
Cp,gas	304.27	J/mol×K	919.22	Calculated Property
Cp,gas	317.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006766; 0.0000039]	Pa×s	[440.20; 661.15]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.27403e+01
Coefficient B			6.79748e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			440.20
Temperature range, max.			661.15
η	0.0006766	Pa×s	440.20	Calculated Property
η	0.0002993	Pa×s	464.75	Calculated Property
η	0.0001437	Pa×s	489.30	Calculated Property
η	0.0000740	Pa×s	513.85	Calculated Property
η	0.0000405	Pa×s	538.40	Calculated Property
η	0.0000233	Pa×s	562.95	Calculated Property
η	0.0000141	Pa×s	587.50	Calculated Property
η	0.0000089	Pa×s	612.05	Calculated Property
η	0.0000058	Pa×s	636.60	Calculated Property
η	0.0000039	Pa×s	661.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2,6-dihydroxy-.

Mixtures

• Benzoic acid, 2,6-dihydroxy- + Methyl Alcohol
• Ethanol + Benzoic acid, 2,6-dihydroxy-
• 2-Propanol + Benzoic acid, 2,6-dihydroxy-
• 1-Butanol + Benzoic acid, 2,6-dihydroxy-
• Benzoic acid, 2,6-dihydroxy- + Methyl Alcohol + Water
• Ethanol + Benzoic acid, 2,6-dihydroxy- + Water
• 2-Propanol + Benzoic acid, 2,6-dihydroxy- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus
• Measurement and Correlation of the Solubility of 2,6-Dihydroxybenzoic Acid in Alcohols and Binary Solvents
• Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
• Joback Method
• McGowan Method
• NIST Webbook

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