Chemical Properties of Benzaldehyde, 4-hydroxy-3-chloro (CAS 2420-16-8)

InChI

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

InChI Key

VGSOCYWCRMXQAB-UHFFFAOYSA-N

Formula

C7H5ClO2

SMILES

O=Cc1ccc(O)c(Cl)c1

Molecular Weight¹

156.57

CAS

2420-16-8

Other Names

• 3-Chloro-4-hydroxybenzaldehyde
• Benzaldehyde, 3-chloro-4-hydroxy-

• 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.
• 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	-260.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.81	kJ/mol	Joback Calculated Property
ΔvapH°	67.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-1.57		Relay (1.0) Calculated Property
logPoct/wat	1.858		Crippen Calculated Property
McVol	105.410	ml/mol	McGowan Calculated Property
Inp	[1274.00; 1301.00]
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1301.00		NIST
Inp	1291.00		NIST
Inp	1290.00		NIST
Inp	1275.00		NIST
Inp	1274.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Tboil	504.84	K	Relay (1.0) Calculated Property
Tfus	353.72	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.03; 255.74]	J/mol×K	[557.93; 797.69]
Cp,gas	217.03	J/mol×K	557.93	Joback Calculated Property
Cp,gas	224.89	J/mol×K	597.89	Joback Calculated Property
Cp,gas	232.07	J/mol×K	637.85	Joback Calculated Property
Cp,gas	238.67	J/mol×K	677.81	Joback Calculated Property
Cp,gas	244.76	J/mol×K	717.77	Joback Calculated Property
Cp,gas	250.42	J/mol×K	757.73	Joback Calculated Property
Cp,gas	255.74	J/mol×K	797.69	Joback Calculated Property
η	[0.0000750; 0.0013964]	Pa×s	[391.23; 557.93]
η	0.0013964	Pa×s	391.23	Joback Calculated Property
η	0.0007298	Pa×s	419.01	Joback Calculated Property
η	0.0004135	Pa×s	446.80	Joback Calculated Property
η	0.0002504	Pa×s	474.58	Joback Calculated Property
η	0.0001603	Pa×s	502.36	Joback Calculated Property
η	0.0001075	Pa×s	530.15	Joback Calculated Property
η	0.0000750	Pa×s	557.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-hydroxy-3-chloro.

Sources

• 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.