Chemical Properties of Benzaldehyde, 5-(chloromethyl)-2-hydroxy- (CAS 23731-06-8)

InChI

InChI=1S/C8H7ClO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H,4H2

InChI Key

WFACWTZLXIFJCM-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

O=Cc1cc(CCl)ccc1O

Molecular Weight¹

170.59

CAS

23731-06-8

Other Names

• 2,5-Cresotaldehyde, «alpha»-chloro-
• 3-Formyl-4-hydroxybenzyl chloride
• 5-(Chloromethyl)-2-hydroxybenzaldehyde
• 5-(Chloromethyl)salicylaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[155.69; 331.96]	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			-8.61900e+00
Coefficient B			7.61300e-01
Coefficient C			-6.45320e-04
Coefficient D			2.24600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.69	J/mol×K	273.00	Calculated Property
Cp,gas	189.89	J/mol×K	353.78	Calculated Property
Cp,gas	218.78	J/mol×K	434.56	Calculated Property
Cp,gas	243.07	J/mol×K	515.33	Calculated Property
Cp,gas	263.46	J/mol×K	596.11	Calculated Property
Cp,gas	280.68	J/mol×K	676.89	Calculated Property
Cp,gas	295.43	J/mol×K	757.67	Calculated Property
Cp,gas	308.42	J/mol×K	838.44	Calculated Property
Cp,gas	320.36	J/mol×K	919.22	Calculated Property
Cp,gas	331.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011980; 0.0000674]	Pa×s	[402.50; 571.20]	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			-1.64727e+01
Coefficient B			3.92261e+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.			402.50
Temperature range, max.			571.20
η	0.0011980	Pa×s	402.50	Calculated Property
η	0.0007765	Pa×s	421.24	Calculated Property
η	0.0005222	Pa×s	439.99	Calculated Property
η	0.0003628	Pa×s	458.73	Calculated Property
η	0.0002593	Pa×s	477.48	Calculated Property
η	0.0001901	Pa×s	496.22	Calculated Property
η	0.0001426	Pa×s	514.97	Calculated Property
η	0.0001091	Pa×s	533.71	Calculated Property
η	0.0000850	Pa×s	552.45	Calculated Property
η	0.0000674	Pa×s	571.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 5-(chloromethyl)-2-hydroxy-.

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

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