Chemical Properties of Benzoic acid, 4-chloro-, phenylmethyl ester (CAS 67483-73-2)

InChI

InChI=1S/C14H11ClO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

VBIOKGVOQMIBHO-UHFFFAOYSA-N

Formula

C14H11ClO2

SMILES

O=C(OCc1ccccc1)c1ccc(Cl)cc1

Molecular Weight¹

246.69

CAS

67483-73-2

Other Names

• 4-Chlorobenzoic acid, benzyl ester
• Benzyl 4-chlorobenzoate

• 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_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).
• P_c : Critical Pressure (kPa).
• 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°	36.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.24	kJ/mol	Joback Calculated Property
ΔfusH°	26.69	kJ/mol	Joback Calculated Property
ΔvapH°	65.51	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.697		Crippen Calculated Property
McVol	180.280	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[1866.00; 1944.00]
Inp	1899.00		NIST
Inp	1866.00		NIST
Inp	1881.00		NIST
Inp	1899.00		NIST
Inp	1914.00		NIST
Inp	1928.00		NIST
Inp	1944.00		NIST
Inp	1892.00		NIST
Inp	1903.00		NIST
Inp	1899.00		NIST
Inp	1928.00		NIST
Inp	1892.00		NIST
I	[2740.00; 2832.00]
I	2772.00		NIST
I	2740.00		NIST
I	2772.00		NIST
I	2801.00		NIST
I	2832.00		NIST
I	2801.00		NIST
I	2787.00		NIST
I	2772.00		NIST
Tboil	691.78	K	Joback Calculated Property
Tc	938.00	K	Joback Calculated Property
Tfus	414.98	K	Joback Calculated Property
Vc	0.676	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.76; 506.14]	J/mol×K	[691.78; 938.00]
Cp,gas	439.76	J/mol×K	691.78	Joback Calculated Property
Cp,gas	453.56	J/mol×K	732.82	Joback Calculated Property
Cp,gas	466.19	J/mol×K	773.85	Joback Calculated Property
Cp,gas	477.72	J/mol×K	814.89	Joback Calculated Property
Cp,gas	488.18	J/mol×K	855.92	Joback Calculated Property
Cp,gas	497.64	J/mol×K	896.96	Joback Calculated Property
Cp,gas	506.14	J/mol×K	938.00	Joback Calculated Property
η	[0.0001408; 0.0011566]	Pa×s	[414.98; 691.78]
η	0.0011566	Pa×s	414.98	Joback Calculated Property
η	0.0006831	Pa×s	461.11	Joback Calculated Property
η	0.0004441	Pa×s	507.25	Joback Calculated Property
η	0.0003102	Pa×s	553.38	Joback Calculated Property
η	0.0002289	Pa×s	599.51	Joback Calculated Property
η	0.0001765	Pa×s	645.65	Joback Calculated Property
η	0.0001408	Pa×s	691.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-chloro-, phenylmethyl ester.

Sources

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

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