Chemical Properties of 3-hydroxybenzoic acid (CAS 99-06-9)

InChI

InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

IJFXRHURBJZNAO-UHFFFAOYSA-N

Formula

C7H6O3

SMILES

O=C(O)c1cccc(O)c1

Molecular Weight¹

138.12

CAS

99-06-9

Other Names

• 3-carboxyphenol
• benzoic acid, 3-hydroxy-
• m-hydroxybenzoic acid
• m-salicylic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.7449		Relay (1.0) Calculated Property
ΔcH°solid	[-3021.60; -3017.90]	kJ/mol
ΔcH°solid	-3017.90 ± 1.10	kJ/mol	NIST
ΔcH°solid	-3021.60 ± 0.40	kJ/mol	NIST
ΔfG°	-378.06	kJ/mol	Joback Calculated Property
ΔfH°gas	[-469.10; -465.50]	kJ/mol
ΔfH°gas	-469.10 ± 1.30	kJ/mol	NIST
ΔfH°gas	-465.50	kJ/mol	NIST
ΔfH°solid	[-594.10; -590.50]	kJ/mol
ΔfH°solid	-594.10 ± 1.10	kJ/mol	NIST
ΔfH°solid	-590.50 ± 1.00	kJ/mol	NIST
ΔfusH°	23.85	kJ/mol	Joback Calculated Property
ΔsubH°	[118.30; 125.00]	kJ/mol
ΔsubH°	118.30 ± 1.10	kJ/mol	NIST
ΔsubH°	124.99 ± 0.74	kJ/mol	NIST
ΔsubH°	125.00	kJ/mol	NIST
ΔsubH°	125.00 ± 0.74	kJ/mol	NIST
ΔvapH°	103.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.20 ± 0.20	eV	NIST
log10WS	-0.91		Relay (1.0) Calculated Property
logPoct/wat	1.090		Crippen Calculated Property
McVol	99.040	ml/mol	McGowan Calculated Property
Pc	5730.52	kPa	Joback Calculated Property
Inp	[1417.00; 1417.00]
Inp	1417.00		NIST
Inp	1417.00		NIST
S°solid,1 bar	177.00	J/mol×K	NIST
Tboil	562.93	K	Relay (1.0) Calculated Property
Tc	827.89	K	Relay (1.0) Calculated Property
Tfus	[364.00; 472.00]	K
Tfus	472.00 ± 1.50	K	NIST
Tfus	364.00 ± 3.00	K	NIST
Tfus	472.00 ± 6.00	K	NIST
Vc	0.340	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[134.60; 218.80]	J/mol×K	[280.40; 460.40]
Cp,solid	134.60	J/mol×K	280.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	136.80	J/mol×K	285.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	157.30	J/mol×K	288.40	NIST
Cp,solid	138.90	J/mol×K	290.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	141.20	J/mol×K	295.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	143.50	J/mol×K	300.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	145.80	J/mol×K	305.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	147.90	J/mol×K	310.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	150.20	J/mol×K	315.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	152.70	J/mol×K	320.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	155.00	J/mol×K	325.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	157.40	J/mol×K	330.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	159.70	J/mol×K	335.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	162.20	J/mol×K	340.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	164.50	J/mol×K	345.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	166.90	J/mol×K	350.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	169.10	J/mol×K	355.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	171.30	J/mol×K	360.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	173.70	J/mol×K	365.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	175.90	J/mol×K	370.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	177.90	J/mol×K	375.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	180.80	J/mol×K	380.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	183.80	J/mol×K	385.40	Determination of the activity of a molecular solute in saturated solution
Cp,solid	186.30	J/mol×K	390.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	188.70	J/mol×K	395.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	190.60	J/mol×K	400.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	192.60	J/mol×K	405.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	194.60	J/mol×K	410.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	196.60	J/mol×K	415.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	198.30	J/mol×K	420.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	200.30	J/mol×K	425.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	202.50	J/mol×K	430.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	205.00	J/mol×K	435.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	207.50	J/mol×K	440.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	209.90	J/mol×K	445.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	212.10	J/mol×K	450.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	214.80	J/mol×K	455.50	Determination of the activity of a molecular solute in saturated solution
Cp,solid	218.80	J/mol×K	460.40	Determination of the activity of a molecular solute in saturated solution
ΔfusH	[26.20; 36.50]	kJ/mol	[475.10; 476.40]
ΔfusH	26.20	kJ/mol	475.10	NIST
ΔfusH	36.50	kJ/mol	476.40	NIST
ΔsubH	123.50 ± 0.74	kJ/mol	363.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.23; 295.14]	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			-4.17000e+01
Coefficient B			7.95300e-01
Coefficient C			-7.17160e-04
Coefficient D			2.58700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.23	J/mol×K	273.00	Calculated Property
Cp,gas	161.36	J/mol×K	353.78	Calculated Property
Cp,gas	189.70	J/mol×K	434.56	Calculated Property
Cp,gas	213.09	J/mol×K	515.33	Calculated Property
Cp,gas	232.35	J/mol×K	596.11	Calculated Property
Cp,gas	248.27	J/mol×K	676.89	Calculated Property
Cp,gas	261.70	J/mol×K	757.67	Calculated Property
Cp,gas	273.44	J/mol×K	838.44	Calculated Property
Cp,gas	284.32	J/mol×K	919.22	Calculated Property
Cp,gas	295.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006605; 0.0000455]	Pa×s	[436.00; 599.15]	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			-1.71499e+01
Coefficient B			4.28470e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			436.00
Temperature range, max.			599.15
η	0.0006605	Pa×s	436.00	Calculated Property
η	0.0004462	Pa×s	454.13	Calculated Property
η	0.0003106	Pa×s	472.25	Calculated Property
η	0.0002221	Pa×s	490.38	Calculated Property
η	0.0001627	Pa×s	508.51	Calculated Property
η	0.0001217	Pa×s	526.64	Calculated Property
η	0.0000928	Pa×s	544.76	Calculated Property
η	0.0000721	Pa×s	562.89	Calculated Property
η	0.0000568	Pa×s	581.02	Calculated Property
η	0.0000455	Pa×s	599.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxybenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Determination of the activity of a molecular solute in saturated solution
• Joback Method
• McGowan Method
• NIST Webbook

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