Chemical Properties of Ethyl-4-chlorobenzoate (CAS 7335-27-5)

InChI

InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChI Key

RWBYCMPOFNRISR-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

CCOC(=O)c1ccc(Cl)cc1

Molecular Weight¹

184.62

CAS

7335-27-5

Other Names

• Ethyl p-chlorobenzoate
• Benzoic acid, 4-chloro-, ethyl ester
• p-(Ethoxycarbonyl)phenyl chloride
• Benzoic acid, p-chloro-, ethyl ester
• Parachlorobenzoic acid ethyl ester
• 4-Chlorobenzoic acid, ethyl 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5015		Relay (1.0) Calculated Property
ΔfH°gas	-351.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	69.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3093.29	kPa	Joback Calculated Property
Inp	[1306.00; 1340.00]
Inp	1318.00		NIST
Inp	1323.00		NIST
Inp	1336.00		NIST
Inp	1324.00		NIST
Inp	1331.00		NIST
Inp	1340.00		NIST
Inp	1327.00		NIST
Inp	1316.00		NIST
Inp	1317.00		NIST
Inp	1306.00		NIST
Inp	1320.00		NIST
Inp	1306.00		NIST
Inp	1315.00		NIST
I	[1830.00; 1917.00]
I	1885.00		NIST
I	1885.00		NIST
I	1893.00		NIST
I	1917.00		NIST
I	1863.00		NIST
I	1830.00		NIST
I	1849.00		NIST
Tboil	510.70	K	NIST
Tc	715.02	K	Relay (1.0) Calculated Property
Tfus	295.64	K	Relay (1.0) Calculated Property
Vc	0.487	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.01; 338.53]	J/mol×K	[532.83; 752.33]
Cp,gas	278.01	J/mol×K	532.83	Joback Calculated Property
Cp,gas	289.87	J/mol×K	569.41	Joback Calculated Property
Cp,gas	301.01	J/mol×K	606.00	Joback Calculated Property
Cp,gas	311.43	J/mol×K	642.58	Joback Calculated Property
Cp,gas	321.15	J/mol×K	679.17	Joback Calculated Property
Cp,gas	330.18	J/mol×K	715.75	Joback Calculated Property
Cp,gas	338.53	J/mol×K	752.33	Joback Calculated Property
η	[0.0002090; 0.0023814]	Pa×s	[302.38; 532.83]
η	0.0023814	Pa×s	302.38	Joback Calculated Property
η	0.0012632	Pa×s	340.79	Joback Calculated Property
η	0.0007619	Pa×s	379.20	Joback Calculated Property
η	0.0005043	Pa×s	417.60	Joback Calculated Property
η	0.0003579	Pa×s	456.01	Joback Calculated Property
η	0.0002678	Pa×s	494.42	Joback Calculated Property
η	0.0002090	Pa×s	532.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl-4-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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