Chemical Properties of 2,2-Dichloroethyl benzoate

InChI

InChI=1S/C9H8Cl2O2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5,8H,6H2

InChI Key

PQOOXAVSUMDZHX-UHFFFAOYSA-N

Formula

C9H8Cl2O2

SMILES

O=C(OCC(Cl)Cl)c1ccccc1

Molecular Weight¹

219.06

Other Names

• Benzoic acid, 2,2-dichloroethyl ester
• Ethanol, 2,2-dichloro, benzoate

• 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	0.5211		Relay (1.0) Calculated Property
ΔfH°gas	-326.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.35	kJ/mol	Joback Calculated Property
ΔvapH°	73.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	2.647		Crippen Calculated Property
McVol	145.830	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Inp	[1453.00; 1485.00]
Inp	1465.00		NIST
Inp	1462.00		NIST
Inp	1482.00		NIST
Inp	1462.00		NIST
Inp	1470.00		NIST
Inp	1485.00		NIST
Inp	1472.00		NIST
Inp	1456.00		NIST
Inp	1459.00		NIST
Inp	1453.00		NIST
I	[2192.00; 2267.00]
I	2226.00		NIST
I	2231.00		NIST
I	2267.00		NIST
I	2192.00		NIST
I	2192.00		NIST
Tboil	551.33	K	Relay (1.0) Calculated Property
Tc	771.35	K	Relay (1.0) Calculated Property
Tfus	299.59	K	Relay (1.0) Calculated Property
Vc	0.508	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	[303.21; 360.78]	J/mol×K	[564.84; 792.64]
Cp,gas	303.21	J/mol×K	564.84	Joback Calculated Property
Cp,gas	314.87	J/mol×K	602.81	Joback Calculated Property
Cp,gas	325.66	J/mol×K	640.77	Joback Calculated Property
Cp,gas	335.63	J/mol×K	678.74	Joback Calculated Property
Cp,gas	344.78	J/mol×K	716.71	Joback Calculated Property
Cp,gas	353.16	J/mol×K	754.67	Joback Calculated Property
Cp,gas	360.78	J/mol×K	792.64	Joback Calculated Property
η	[0.0001947; 0.0037692]	Pa×s	[304.78; 564.84]
η	0.0037692	Pa×s	304.78	Joback Calculated Property
η	0.0016914	Pa×s	348.12	Joback Calculated Property
η	0.0009064	Pa×s	391.47	Joback Calculated Property
η	0.0005500	Pa×s	434.81	Joback Calculated Property
η	0.0003654	Pa×s	478.15	Joback Calculated Property
η	0.0002599	Pa×s	521.50	Joback Calculated Property
η	0.0001947	Pa×s	564.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dichloroethyl benzoate.

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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