Chemical Properties of Chlorobenzilate (CAS 510-15-6)

InChI

InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3

InChI Key

RAPBNVDSDCTNRC-UHFFFAOYSA-N

Formula

C16H14Cl2O3

SMILES

CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

325.19

CAS

510-15-6

Other Names

• Benzeneacetic acid, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxy-, ethyl ester
• Benzilic acid, 4,4'-dichloro-, ethyl ester
• Acar
• Acaraben
• Akar
• Akar 338
• Benzilan
• Chlorbenzilat
• Chlorbenzylate
• Compound 338
• Ethyl 4,4'-dichlorobenzilate
• Folbex
• G 23992
• G 338
• Geigy 338
• 4,4'-Dichlorobenzilic acid ethyl ester
• Chlorobenzylate
• Ethyl ester of 4,4'-dichlorobenzilic acid
• Ethyl p,p'-dichlorobenzilate
• Ethyl 4,4'-dichlorodiphenyl glycollate
• Ethyl 4,4'-dichlorophenyl glycollate
• Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate
• ENT 18,596
• Kop-Mite
• NCI-C00408
• 4,4'-Dichlorbenzilsaeureaethylester
• Acaraben 4E
• Akar 50
• Benz-O-chlor
• Chlorbenzilate
• Ethyl 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxybenzeneacetate
• Ethylester kyseliny 4,4-dichlorbenzilove
• Folbex smoke-strips
• NCI-C60413
• Rcra waste number U038

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• I_p : 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	-424.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.94	kJ/mol	Joback Calculated Property
ΔvapH°	102.05	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	3.792		Crippen Calculated Property
McVol	226.570	ml/mol	McGowan Calculated Property
Inp	[371.32; 2262.00]
Inp	2204.00		NIST
Inp	2261.00		NIST
Inp	2262.00		NIST
Inp	372.66		NIST
Inp	371.32		NIST
Inp	372.66		NIST
Ip	3230.00		NIST
Tboil	625.53	K	Relay (1.0) Calculated Property
Tfus	312.19 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.68; 646.44]	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			-1.88590e+01
Coefficient B			1.36562e+00
Coefficient C			-9.23320e-04
Coefficient D			2.23000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.68	J/mol×K	273.00	Calculated Property
Cp,gas	358.58	J/mol×K	353.78	Calculated Property
Cp,gas	418.52	J/mol×K	434.56	Calculated Property
Cp,gas	470.20	J/mol×K	515.33	Calculated Property
Cp,gas	514.34	J/mol×K	596.11	Calculated Property
Cp,gas	551.63	J/mol×K	676.89	Calculated Property
Cp,gas	582.78	J/mol×K	757.67	Calculated Property
Cp,gas	608.49	J/mol×K	838.44	Calculated Property
Cp,gas	629.48	J/mol×K	919.22	Calculated Property
Cp,gas	646.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0985512; 0.0000215]	Pa×s	[312.19; 758.35]	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			-1.66476e+01
Coefficient B			4.47381e+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.			312.19
Temperature range, max.			758.35
η	0.0985512	Pa×s	312.19	Calculated Property
η	0.0138300	Pa×s	361.76	Calculated Property
η	0.0031156	Pa×s	411.34	Calculated Property
η	0.0009672	Pa×s	460.91	Calculated Property
η	0.0003768	Pa×s	510.48	Calculated Property
η	0.0001735	Pa×s	560.06	Calculated Property
η	0.0000906	Pa×s	609.63	Calculated Property
η	0.0000522	Pa×s	659.20	Calculated Property
η	0.0000325	Pa×s	708.78	Calculated Property
η	0.0000215	Pa×s	758.35	Calculated Property

Similar Compounds

Find more compounds similar to Chlorobenzilate.

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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