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
• O-FORMYLPHENOL
• O-HYDROXYBENZALDEHYDE
• SAH
• SALICYLAL
• SALICYLALDEHYDE
• Salicylaldehyde (2-hydroxybenzaldehyde)
• Salicylic aldehyde

• 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_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).
• 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_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	-133.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.17	kJ/mol	Joback 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
log10WS	-0.86		Aq. Sol...
logPoct/wat	1.205		Crippen Calculated Property
McVol	93.170	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	5602.57	kPa	Joback Calculated Property
Inp	[1003.00; 1074.00]
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	1013.00		NIST
Inp	1072.00		NIST
Inp	1008.00		NIST
I	[1628.00; 1705.00]
I	1699.00		NIST
I	1636.00		NIST
I	1660.00		NIST
I	1633.00		NIST
I	1663.00		NIST
I	1704.00		NIST
I	1658.00		NIST
I	1663.00		NIST
I	1674.00		NIST
I	1674.00		NIST
I	1652.00		NIST
I	1680.00		NIST
I	1701.00		NIST
I	1628.00		NIST
I	1653.00		NIST
I	1669.00		NIST
I	1670.00		NIST
I	1675.00		NIST
I	1677.00		NIST
I	1682.00		NIST
I	1682.00		NIST
I	1686.00		NIST
I	1689.00		NIST
I	1670.00		NIST
I	1703.00		NIST
I	1705.00		NIST
I	1703.00		NIST
I	1667.00		NIST
I	1665.00		NIST
I	1680.00		NIST
I	1628.00		NIST
I	1677.00		NIST
I	1633.00		NIST
I	1674.00		NIST
Tboil	[470.15; 470.20]	K
Tboil	470.20	K	NIST
Tboil	470.15 ± 1.00	K	NIST
Tc	749.54	K	Joback Calculated Property
Tfus	269.65	K	Aq. Sol...
Vc	0.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.64; 242.09]	J/mol×K	[515.52; 749.54]
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 600 700
Cp,gas	197.64	J/mol×K	515.52	Joback Calculated Property
Cp,gas	206.73	J/mol×K	554.52	Joback Calculated Property
Cp,gas	215.05	J/mol×K	593.53	Joback Calculated Property
Cp,gas	222.66	J/mol×K	632.53	Joback Calculated Property
Cp,gas	229.65	J/mol×K	671.53	Joback Calculated Property
Cp,gas	236.10	J/mol×K	710.54	Joback Calculated Property
Cp,gas	242.09	J/mol×K	749.54	Joback Calculated Property
η	[0.0000996; 0.0031017]	Pa×s	[348.79; 515.52]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 350 400 450 500
η	0.0031017	Pa×s	348.79	Joback Calculated Property
η	0.0014153	Pa×s	376.58	Joback Calculated Property
η	0.0007194	Pa×s	404.37	Joback Calculated Property
η	0.0003989	Pa×s	432.15	Joback Calculated Property
η	0.0002375	Pa×s	459.94	Joback Calculated Property
η	0.0001500	Pa×s	487.73	Joback Calculated Property
η	0.0000996	Pa×s	515.52	Joback Calculated Property
ΔfusH	13.30	kJ/mol	278.70	NIST
ΔvapH	[30.60; 49.60]	kJ/mol	[388.00; 426.50]
ΔvapH	49.60	kJ/mol	388.00	NIST
ΔvapH	30.60	kJ/mol	426.50	NIST
ρl	1162.50	kg/m3	298.15	Liquid-...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[350.11; 497.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 500
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.31045e+01
Coefficient B			-8.28909e+03
Coefficient C			-8.49841e+00
Coefficient D			6.54847e-06
Temperature range, min.			266.15
Temperature range, max.			680.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 300 400 500 600
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

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
• Crippen Method
• 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
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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