Chemical Properties of 5-Chloro-2-hydroxy benzaldehyde

InChI

InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

InChI Key

FUGKCSRLAQKUHG-UHFFFAOYSA-N

Formula

C7H5ClO2

SMILES

O=Cc1cc(Cl)ccc1O

Molecular Weight¹

156.57

Other Names

• 2-Hydroxy-5-chlorobenzaldehyde
• 4-Chloro-2-formylphenol
• 5-Chloro-2-hydroxybenzaldehyde
• 5-Chlorosalicylaldehyde
• Benzaldehyde, 2-hydroxy, 5-chloro
• Salicylaldehyde, 5-chloro-

• 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_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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point 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	-268.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.81	kJ/mol	Joback Calculated Property
ΔvapH°	63.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-2.03		Relay (1.0) Calculated Property
logPoct/wat	1.858		Crippen Calculated Property
McVol	105.410	ml/mol	McGowan Calculated Property
Inp	[1169.00; 1217.00]
Inp	1206.00		NIST
Inp	1206.00		NIST
Inp	1190.00		NIST
Inp	1206.00		NIST
Inp	1217.00		NIST
Inp	1184.00		NIST
Inp	1169.00		NIST
Inp	1174.00		NIST
Inp	1206.00		NIST
Inp	1184.00		NIST
Ip	[1965.00; 1969.00]
Ip	1966.00		NIST
Ip	1965.00		NIST
Ip	1966.00		NIST
Ip	1969.00		NIST
Ip	1966.00		NIST
Tboil	515.30	K	Relay (1.0) Calculated Property
Tfus	373.80	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.48; 280.37]	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			-7.71000e+00
Coefficient B			6.66300e-01
Coefficient C			-5.90920e-04
Coefficient D			2.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.48	J/mol×K	273.00	Calculated Property
Cp,gas	163.47	J/mol×K	353.78	Calculated Property
Cp,gas	187.70	J/mol×K	434.56	Calculated Property
Cp,gas	207.84	J/mol×K	515.33	Calculated Property
Cp,gas	224.55	J/mol×K	596.11	Calculated Property
Cp,gas	238.52	J/mol×K	676.89	Calculated Property
Cp,gas	250.41	J/mol×K	757.67	Calculated Property
Cp,gas	260.90	J/mol×K	838.44	Calculated Property
Cp,gas	270.67	J/mol×K	919.22	Calculated Property
Cp,gas	280.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022039; 0.0000744]	Pa×s	[373.80; 558.58]	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			-1.63595e+01
Coefficient B			3.82845e+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.			373.80
Temperature range, max.			558.58
η	0.0022039	Pa×s	373.80	Calculated Property
η	0.0012930	Pa×s	394.33	Calculated Property
η	0.0007997	Pa×s	414.86	Calculated Property
η	0.0005175	Pa×s	435.39	Calculated Property
η	0.0003483	Pa×s	455.93	Calculated Property
η	0.0002426	Pa×s	476.46	Calculated Property
η	0.0001740	Pa×s	496.99	Calculated Property
η	0.0001282	Pa×s	517.52	Calculated Property
η	0.0000967	Pa×s	538.05	Calculated Property
η	0.0000744	Pa×s	558.58	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chloro-2-hydroxy benzaldehyde.

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)
• 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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