Chemical Properties of Benzaldehyde, 3-hydroxy-

InChI

InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H

InChI Key

IAVREABSGIHHMO-UHFFFAOYSA-N

Formula

C7H6O2

SMILES

O=Cc1cccc(O)c1

Molecular Weight¹

122.12

Other Names

• 3-Formylphenol
• 3-hydroxybenzaldehyde
• Benzaldehyde, m-hydroxy-
• m-Formylphenol
• m-Hydroxybenzaldehyde
• meta-Hydroxybenzaldehyde

• 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_boilr : Boiling point at reduced pressure (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	0.5565		Relay (1.0) Calculated Property
ΔfG°	-133.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.10	kJ/mol	Synthesis and characterization of novel binary organic monotectic and eutectic alloys
ΔsubH°	100.10 ± 0.60	kJ/mol	NIST
ΔvapH°	74.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-0.70		Relay (1.0) Calculated Property
logPoct/wat	1.205		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
Pc	5602.57	kPa	Joback Calculated Property
Inp	[1262.40; 1267.00]
Inp	1262.40		NIST
Inp	1267.00		NIST
Inp	1262.40		NIST
Tboil	513.20	K	NIST
Tc	801.79	K	Relay (1.0) Calculated Property
Tfus	[376.00; 377.60]	K
Tfus	376.00	K	Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide
Tfus	377.60	K	Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
Vc	0.310	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	99.70 ± 0.60	kJ/mol	321.00	NIST
Psub	[1.31e-04; 1.14e-03]	kPa	[312.17; 330.19]
Psub	1.39e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.34e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.31e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.77e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.71e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.68e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.33e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.20e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.16e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.88e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.80e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	2.75e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	3.77e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	3.58e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	3.53e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	4.62e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	4.53e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	4.40e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	5.81e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	5.57e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	5.42e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	7.38e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	7.12e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	6.94e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	9.07e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	8.71e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	8.49e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.14e-03	kPa	330.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.09e-03	kPa	330.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Psub	1.06e-03	kPa	330.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.52; 275.14]	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			-3.49000e+01
Coefficient B			7.19000e-01
Coefficient C			-6.37560e-04
Coefficient D			2.28600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.52	J/mol×K	273.00	Calculated Property
Cp,gas	149.79	J/mol×K	353.78	Calculated Property
Cp,gas	175.91	J/mol×K	434.56	Calculated Property
Cp,gas	197.59	J/mol×K	515.33	Calculated Property
Cp,gas	215.57	J/mol×K	596.11	Calculated Property
Cp,gas	230.56	J/mol×K	676.89	Calculated Property
Cp,gas	243.29	J/mol×K	757.67	Calculated Property
Cp,gas	254.48	J/mol×K	838.44	Calculated Property
Cp,gas	264.86	J/mol×K	919.22	Calculated Property
Cp,gas	275.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014072; 0.0000876]	Pa×s	[376.80; 524.88]	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			-1.64080e+01
Coefficient B			3.70839e+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.			376.80
Temperature range, max.			524.88
η	0.0014072	Pa×s	376.80	Calculated Property
η	0.0009322	Pa×s	393.25	Calculated Property
η	0.0006383	Pa×s	409.71	Calculated Property
η	0.0004501	Pa×s	426.16	Calculated Property
η	0.0003257	Pa×s	442.61	Calculated Property
η	0.0002412	Pa×s	459.07	Calculated Property
η	0.0001824	Pa×s	475.52	Calculated Property
η	0.0001405	Pa×s	491.97	Calculated Property
η	0.0001101	Pa×s	508.43	Calculated Property
η	0.0000876	Pa×s	524.88	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-hydroxy-.

Mixtures

• Norflurane + Benzaldehyde, 3-hydroxy-
• Norflurane + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
• Carbon dioxide + Benzaldehyde, 3-hydroxy-
• Carbon dioxide + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
• Biphenyl + Benzaldehyde, 3-hydroxy-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide
• Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
• Synthesis and characterization of novel binary organic monotectic and eutectic alloys
• Solubilities of hydroxybenzaldehyde isomers and their mixture in subcritical 1,1,1,2-tetrafluoroethane
• Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
• Joback Method
• McGowan Method
• NIST Webbook

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