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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.5565		Relay (1.0) Calculated Property
Δ_fG°	-133.67	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-219.27	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	24.10	kJ/mol	Synthesis and characterization of novel binary organic monotectic and eutectic alloys
Δ_subH°	100.10 ± 0.60	kJ/mol	NIST
Δ_vapH°	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
logP_oct/wat	1.205		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
P_c	5602.57	kPa	Joback Calculated Property
I_np	[1262.40; 1267.00]
I_np	1262.40		NIST
I_np	1267.00		NIST
I_np	1262.40		NIST
T_boil	513.20	K	NIST
T_c	801.79	K	Relay (1.0) Calculated Property
T_fus	[376.00; 378.15]	K
T_fus	376.00	K	Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide
T_fus	377.60	K	Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
T_fus	378.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
V_c	0.310	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_subH	99.70 ± 0.60	kJ/mol	321.00	NIST
P_sub	[1.31e-04; 1.14e-03]	kPa	[312.17; 330.19]

P_sub	1.39e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.34e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.31e-04	kPa	312.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.77e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.71e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.68e-04	kPa	314.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.33e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.20e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.16e-04	kPa	316.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.88e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.80e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.75e-04	kPa	318.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.77e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.58e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.53e-04	kPa	320.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	4.62e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	4.53e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	4.40e-04	kPa	322.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.81e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.57e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.42e-04	kPa	324.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	7.38e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	7.12e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	6.94e-04	kPa	326.22	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	9.07e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	8.71e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	8.49e-04	kPa	328.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.14e-03	kPa	330.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.09e-03	kPa	330.19	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	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

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	464.20	K	6.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,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 C_p,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

C_p,gas	118.52	J/mol×K	273.00	Calculated Property
C_p,gas	149.79	J/mol×K	353.78	Calculated Property
C_p,gas	175.91	J/mol×K	434.56	Calculated Property
C_p,gas	197.59	J/mol×K	515.33	Calculated Property
C_p,gas	215.57	J/mol×K	596.11	Calculated Property
C_p,gas	230.56	J/mol×K	676.89	Calculated Property
C_p,gas	243.29	J/mol×K	757.67	Calculated Property
C_p,gas	254.48	J/mol×K	838.44	Calculated Property
C_p,gas	264.86	J/mol×K	919.22	Calculated Property
C_p,gas	275.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013908; 0.0000876]	Pa×s	[377.25; 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.			377.25
Temperature range, max.			524.88

η	0.0013908	Pa×s	377.25	Calculated Property
η	0.0009233	Pa×s	393.65	Calculated Property
η	0.0006334	Pa×s	410.06	Calculated Property
η	0.0004473	Pa×s	426.46	Calculated Property
η	0.0003241	Pa×s	442.86	Calculated Property
η	0.0002404	Pa×s	459.27	Calculated Property
η	0.0001819	Pa×s	475.67	Calculated Property
η	0.0001403	Pa×s	492.07	Calculated Property
η	0.0001100	Pa×s	508.48	Calculated Property
η	0.0000876	Pa×s	524.88	Calculated Property

Similar Compounds

3-(3-(TRIFLUOROMETHYL)PHENOXY)-BENZALDEHYDE.

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

Mixtures

Sources

Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
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

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.

Chemical Properties of Benzaldehyde, 3-hydroxy-