Chemical Properties of Ethanol, 2,2,2-trichloro-, benzoate

InChI

InChI=1S/C9H7Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h1-5H,6H2

InChI Key

WGXLSZQUOYSATB-UHFFFAOYSA-N

Formula

C9H7Cl3O2

SMILES

O=C(OCC(Cl)(Cl)Cl)c1ccccc1

Molecular Weight¹

253.51

Other Names

• 2,2,2-Trichloroethyl benzoate
• Benzoic acid, 2,2,2-trichloroethyl ester
• Trichloroethyl benzoate

• ω : Acentric Factor.
• 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).
• 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	0.4831		Relay (1.0) Calculated Property
ΔfG°	-206.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.65	kJ/mol	Joback Calculated Property
ΔvapH°	72.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.214		Crippen Calculated Property
McVol	158.070	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Inp	[1523.00; 1552.00]
Inp	1530.00		NIST
Inp	1533.00		NIST
Inp	1551.00		NIST
Inp	1526.00		NIST
Inp	1536.00		NIST
Inp	1552.00		NIST
Inp	1542.00		NIST
Inp	1528.00		NIST
Inp	1531.00		NIST
Inp	1523.00		NIST
Inp	1530.00		NIST
Inp	1542.00		NIST
Inp	1530.00		NIST
Inp	1552.00		NIST
I	[2159.00; 2239.00]
I	2199.00		NIST
I	2205.00		NIST
I	2239.00		NIST
I	2159.00		NIST
I	2199.00		NIST
I	2159.00		NIST
Tboil	556.56	K	Relay (1.0) Calculated Property
Tc	781.05	K	Relay (1.0) Calculated Property
Tfus	353.66	K	Relay (1.0) Calculated Property
Vc	0.549	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.55; 380.79]	J/mol×K	[599.48; 840.64]
Cp,gas	329.55	J/mol×K	599.48	Joback Calculated Property
Cp,gas	340.48	J/mol×K	639.67	Joback Calculated Property
Cp,gas	350.37	J/mol×K	679.87	Joback Calculated Property
Cp,gas	359.28	J/mol×K	720.06	Joback Calculated Property
Cp,gas	367.28	J/mol×K	760.25	Joback Calculated Property
Cp,gas	374.43	J/mol×K	800.45	Joback Calculated Property
Cp,gas	380.79	J/mol×K	840.64	Joback Calculated Property
η	[0.0001719; 0.0026536]	Pa×s	[352.12; 599.48]
η	0.0026536	Pa×s	352.12	Joback Calculated Property
η	0.0013241	Pa×s	393.35	Joback Calculated Property
η	0.0007539	Pa×s	434.57	Joback Calculated Property
η	0.0004732	Pa×s	475.80	Joback Calculated Property
η	0.0003199	Pa×s	517.03	Joback Calculated Property
η	0.0002292	Pa×s	558.25	Joback Calculated Property
η	0.0001719	Pa×s	599.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2,2-trichloro-, benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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