Chemical Properties of 2-Chlorobenzoic acid, 2-phenylethyl ester (CAS 104856-44-2)

InChI

InChI=1S/C15H13ClO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2

InChI Key

FANZVPUMGJHASY-UHFFFAOYSA-N

Formula

C15H13ClO2

SMILES

O=C(OCCc1ccccc1)c1ccccc1Cl

Molecular Weight¹

260.72

CAS

104856-44-2

Other Names

• Benzoic acid, 2-chloro, 2-phenylethyl ester
• 2-Phenylethyl 2-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°	44.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.88	kJ/mol	Joback Calculated Property
ΔfusH°	29.28	kJ/mol	Joback Calculated Property
ΔvapH°	67.74	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	3.739		Crippen Calculated Property
McVol	194.370	ml/mol	McGowan Calculated Property
Pc	2495.01	kPa	Joback Calculated Property
Inp	[1953.00; 2037.00]
Inp	1953.00		NIST
Inp	1969.00		NIST
Inp	1989.00		NIST
Inp	2006.00		NIST
Inp	2020.00		NIST
Inp	2037.00		NIST
Inp	1989.00		NIST
Inp	1987.00		NIST
Inp	2001.00		NIST
Inp	1987.00		NIST
Inp	1953.00		NIST
Inp	2037.00		NIST
I	[2927.00; 2994.00]
I	2927.00		NIST
I	2959.00		NIST
I	2994.00		NIST
I	2927.00		NIST
I	2979.00		NIST
I	2968.00		NIST
Tboil	714.66	K	Joback Calculated Property
Tc	955.69	K	Joback Calculated Property
Tfus	426.25	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.15; 560.11]	J/mol×K	[714.66; 955.69]
Cp,gas	491.15	J/mol×K	714.66	Joback Calculated Property
Cp,gas	505.40	J/mol×K	754.83	Joback Calculated Property
Cp,gas	518.48	J/mol×K	795.00	Joback Calculated Property
Cp,gas	530.44	J/mol×K	835.17	Joback Calculated Property
Cp,gas	541.33	J/mol×K	875.35	Joback Calculated Property
Cp,gas	551.20	J/mol×K	915.52	Joback Calculated Property
Cp,gas	560.11	J/mol×K	955.69	Joback Calculated Property
η	[0.0001258; 0.0010871]	Pa×s	[426.25; 714.66]
η	0.0010871	Pa×s	426.25	Joback Calculated Property
η	0.0006325	Pa×s	474.32	Joback Calculated Property
η	0.0004066	Pa×s	522.39	Joback Calculated Property
η	0.0002815	Pa×s	570.45	Joback Calculated Property
η	0.0002064	Pa×s	618.52	Joback Calculated Property
η	0.0001583	Pa×s	666.59	Joback Calculated Property
η	0.0001258	Pa×s	714.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chlorobenzoic acid, 2-phenylethyl ester.

Sources

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

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