Chemical Properties of BENZALDEHYDE, 2-HYDROXY- (CAS 90-02-8)

InChI

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

InChI Key

SMQUZDBALVYZAC-UHFFFAOYSA-N

Formula

C7H6O2

SMILES

O=Cc1ccccc1O

Molecular Weight¹

122.12

CAS

90-02-8

Other Names

• 2-Formylphenol
• 2-Hydroxy benzaldehyde (salicylaldehyde)
• 2-hydroxybenzaldehyde
• Benzaldehyde, o-hydroxy-
• NSC 49178
• SAH
• Salicylal
• Salicylaldehyde (2-hydroxybenzaldehyde)
• Salicylic aldehyde
• o-Formylphenol
• o-Hydroxybenzaldehyde
• salicylaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-239.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.00	kJ/mol	Joback Calculated Property
ΔvapH°	[50.40; 53.30]	kJ/mol
ΔvapH°	53.30 ± 0.30	kJ/mol	NIST
ΔvapH°	50.40 ± 1.30	kJ/mol	NIST
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Aq. Solubility Prediction
logPoct/wat	1.205		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Inp	[1003.00; 1074.00]
Inp	1008.00		NIST
Inp	1041.40		NIST
Inp	1047.60		NIST
Inp	1062.00		NIST
Inp	1044.00		NIST
Inp	1062.00		NIST
Inp	1074.00		NIST
Inp	1045.00		NIST
Inp	1008.00		NIST
Inp	1003.00		NIST
Inp	1031.00		NIST
Inp	1029.00		NIST
Inp	1057.00		NIST
Inp	1013.00		NIST
Inp	1049.00		NIST
Inp	1041.00		NIST
Inp	1041.00		NIST
Inp	1041.00		NIST
Inp	1011.00		NIST
Inp	1026.00		NIST
Inp	1031.00		NIST
Inp	1021.00		NIST
Inp	1025.00		NIST
Inp	1024.00		NIST
Inp	1046.00		NIST
Inp	1049.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1063.00		NIST
Inp	1040.00		NIST
Inp	1041.30		NIST
Inp	1048.00		NIST
Inp	1041.00		NIST
Inp	1049.00		NIST
Inp	1011.00		NIST
Inp	1012.00		NIST
Inp	1008.00		NIST
Inp	1005.00		NIST
Inp	1033.00		NIST
Inp	1055.00		NIST
Inp	1057.00		NIST
Inp	1047.00		NIST
Inp	1049.00		NIST
Inp	1045.00		NIST
Inp	1062.00		NIST
Inp	1027.00		NIST
Inp	1054.00		NIST
Inp	1013.00		NIST
Inp	1072.00		NIST
Ip	[1628.00; 1705.00]
Ip	1699.00		NIST
Ip	1636.00		NIST
Ip	1660.00		NIST
Ip	1633.00		NIST
Ip	1663.00		NIST
Ip	1704.00		NIST
Ip	1658.00		NIST
Ip	1663.00		NIST
Ip	1674.00		NIST
Ip	1674.00		NIST
Ip	1652.00		NIST
Ip	1680.00		NIST
Ip	1701.00		NIST
Ip	Outlier 1628.00		NIST
Ip	1653.00		NIST
Ip	1669.00		NIST
Ip	1670.00		NIST
Ip	1675.00		NIST
Ip	1677.00		NIST
Ip	1682.00		NIST
Ip	1682.00		NIST
Ip	1686.00		NIST
Ip	1689.00		NIST
Ip	1670.00		NIST
Ip	1703.00		NIST
Ip	1705.00		NIST
Ip	1703.00		NIST
Ip	1667.00		NIST
Ip	1665.00		NIST
Ip	Outlier 1628.00		NIST
Ip	1677.00		NIST
Ip	1670.00		NIST
Ip	1665.00		NIST
Ip	1680.00		NIST
Ip	1633.00		NIST
Ip	1674.00		NIST
Tboil	[470.15; 470.20]	K
Tboil	470.20	K	NIST
Tboil	470.15 ± 1.00	K	NIST
Tc	787.20	K	Relay (1.0) Calculated Property
Tfus	[266.15; 272.30]	K
Tfus	272.30	K	Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
Tfus	266.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	269.65	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	13.30	kJ/mol	278.70	NIST
ΔvapH	[30.60; 63.30]	kJ/mol	[298.15; 426.50]
ΔvapH	63.30	kJ/mol	298.15	Thermochemical studies on salicylaldehyde and salicylamide
ΔvapH	49.60	kJ/mol	388.00	NIST
ΔvapH	30.60	kJ/mol	426.50	NIST
ρl	1162.50	kg/m3	298.15	Liquid-liquid equilibria for (2-hydroxy benzaldehyde + n-alkane) mixtures. Intermolecular and proximity effects in systems containing hydroxyl and aldehyde groups

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	[0.0712970; 0.0000876]	Pa×s	[269.37; 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.			269.37
Temperature range, max.			524.88
η	0.0712970	Pa×s	269.37	Calculated Property
η	0.0191862	Pa×s	297.76	Calculated Property
η	0.0064887	Pa×s	326.15	Calculated Property
η	0.0026105	Pa×s	354.54	Calculated Property
η	0.0012021	Pa×s	382.93	Calculated Property
η	0.0006161	Pa×s	411.32	Calculated Property
η	0.0003442	Pa×s	439.71	Calculated Property
η	0.0002064	Pa×s	468.10	Calculated Property
η	0.0001312	Pa×s	496.49	Calculated Property
η	0.0000876	Pa×s	524.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[350.11; 497.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.71544e+01
Coefficient B			-5.86328e+03
Coefficient C			-2.48700e+00
Temperature range, min.			350.11
Temperature range, max.			497.57
Pvap	1.33	kPa	350.11	Calculated Property
Pvap	2.85	kPa	366.49	Calculated Property
Pvap	5.70	kPa	382.88	Calculated Property
Pvap	10.77	kPa	399.26	Calculated Property
Pvap	19.36	kPa	415.65	Calculated Property
Pvap	33.26	kPa	432.03	Calculated Property
Pvap	54.92	kPa	448.42	Calculated Property
Pvap	87.53	kPa	464.80	Calculated Property
Pvap	135.10	kPa	481.19	Calculated Property
Pvap	202.63	kPa	497.57	Calculated Property
Pvap	[6.53e-03; 4990.01]	kPa	[266.15; 680.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.31045e+01
Coefficient B			-8.28909e+03
Coefficient C			-8.49841e+00
Coefficient D			6.54847e-06
Coefficient E			0.00000e+00
Temperature range, min.			266.15
Temperature range, max.			680.00
Pvap	6.53e-03	kPa	266.15	Calculated Property
Pvap	0.20	kPa	312.13	Calculated Property
Pvap	2.27	kPa	358.12	Calculated Property
Pvap	14.25	kPa	404.10	Calculated Property
Pvap	59.96	kPa	450.08	Calculated Property
Pvap	192.31	kPa	496.07	Calculated Property
Pvap	510.73	kPa	542.05	Calculated Property
Pvap	1187.94	kPa	588.03	Calculated Property
Pvap	2516.09	kPa	634.02	Calculated Property
Pvap	4990.01	kPa	680.00	Calculated Property
Pvap	[0.13; 100.10]	kPa	[306.00; 469.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58390e+01
Coefficient B			-4.95936e+03
Coefficient C			-2.81960e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			306.00
Temperature range, max.			469.70
Pvap	0.13	kPa	306.00	Calculated Property
Pvap	0.40	kPa	324.19	Calculated Property
Pvap	1.06	kPa	342.38	Calculated Property
Pvap	2.50	kPa	360.57	Calculated Property
Pvap	5.43	kPa	378.76	Calculated Property
Pvap	10.91	kPa	396.94	Calculated Property
Pvap	20.53	kPa	415.13	Calculated Property
Pvap	36.51	kPa	433.32	Calculated Property
Pvap	61.78	kPa	451.51	Calculated Property
Pvap	100.10	kPa	469.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.02]	N/m	[266.15; 470.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			7.93052e-02
Coefficient B			-1.24200e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			266.15
Temperature range, max.			470.15
γ	0.05	N/m	266.15	Calculated Property
γ	0.04	N/m	288.82	Calculated Property
γ	0.04	N/m	311.48	Calculated Property
γ	0.04	N/m	334.15	Calculated Property
γ	0.03	N/m	356.82	Calculated Property
γ	0.03	N/m	379.48	Calculated Property
γ	0.03	N/m	402.15	Calculated Property
γ	0.03	N/m	424.82	Calculated Property
γ	0.02	N/m	447.48	Calculated Property
γ	0.02	N/m	470.15	Calculated Property

Similar Compounds

Find more compounds similar to BENZALDEHYDE, 2-HYDROXY-.

Mixtures

• Heptane + BENZALDEHYDE, 2-HYDROXY-
• Octane + BENZALDEHYDE, 2-HYDROXY-
• BENZALDEHYDE, 2-HYDROXY- + Nonane
• Decane + BENZALDEHYDE, 2-HYDROXY-
• Undecane + BENZALDEHYDE, 2-HYDROXY-

Sources

• KDB Vapor Pressure Data
• 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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Thermochemical studies on salicylaldehyde and salicylamide
• Liquid-liquid equilibria for (2-hydroxy benzaldehyde + n-alkane) mixtures. Intermolecular and proximity effects in systems containing hydroxyl and aldehyde groups
• Thermochemical study on the Schiff base[H2salen = N,N -bis(salicylidene) ethylendiamine] and its binuclearcopper (II) complex
• Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
• Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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