Chemical Properties of Benzyl 3-chlorobenzoate

InChI

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

InChI Key

FKQRAQQDDUKITH-UHFFFAOYSA-N

Formula

C14H11ClO2

SMILES

O=C(OCc1ccccc1)c1cccc(Cl)c1

Molecular Weight¹

246.69

Other Names

• Benzoic acid, 3-chloro, phenylmethyl ester

• ω : Acentric Factor.
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5821		Relay (1.0) Calculated Property
ΔfH°gas	-183.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.28	kJ/mol	Joback Calculated Property
ΔvapH°	86.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	3.697		Crippen Calculated Property
McVol	180.280	ml/mol	McGowan Calculated Property
Pc	2637.96	kPa	Joback Calculated Property
Inp	[1880.00; 1942.00]
Inp	1897.00		NIST
Inp	1880.00		NIST
Inp	1897.00		NIST
Inp	1912.00		NIST
Inp	1926.00		NIST
Inp	1942.00		NIST
Inp	1890.00		NIST
Inp	1901.00		NIST
Inp	1897.00		NIST
Inp	1942.00		NIST
Inp	1890.00		NIST
I	[2737.00; 2831.00]
I	2768.00		NIST
I	2737.00		NIST
I	2768.00		NIST
I	2797.00		NIST
I	2831.00		NIST
I	2799.00		NIST
I	2786.00		NIST
I	2768.00		NIST
I	2799.00		NIST
Tboil	601.93	K	Relay (1.0) Calculated Property
Tc	862.20	K	Relay (1.0) Calculated Property
Tfus	281.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[436.58; 503.82]	J/mol×K	[673.91; 918.52]
Cp,gas	436.58	J/mol×K	673.91	Joback Calculated Property
Cp,gas	450.71	J/mol×K	714.68	Joback Calculated Property
Cp,gas	463.59	J/mol×K	755.45	Joback Calculated Property
Cp,gas	475.29	J/mol×K	796.22	Joback Calculated Property
Cp,gas	485.86	J/mol×K	836.98	Joback Calculated Property
Cp,gas	495.35	J/mol×K	877.75	Joback Calculated Property
Cp,gas	503.82	J/mol×K	918.52	Joback Calculated Property
η	[0.0001256; 0.0014604]	Pa×s	[385.15; 673.91]
η	0.0014604	Pa×s	385.15	Joback Calculated Property
η	0.0007732	Pa×s	433.28	Joback Calculated Property
η	0.0004648	Pa×s	481.40	Joback Calculated Property
η	0.0003065	Pa×s	529.53	Joback Calculated Property
η	0.0002167	Pa×s	577.66	Joback Calculated Property
η	0.0001615	Pa×s	625.78	Joback Calculated Property
η	0.0001256	Pa×s	673.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 3-chlorobenzoate.

Sources

• Cheméo Relay (1.0)
• 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.
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