Chemical Properties of Carbonic acid, 2,2,2-trichloroethyl 4-cyanophenyl ester

InChI

InChI=1S/C10H6Cl3NO3/c11-10(12,13)6-16-9(15)17-8-3-1-7(5-14)2-4-8/h1-4H,6H2

InChI Key

RULFGWNYONMCRU-UHFFFAOYSA-N

Formula

C10H6Cl3NO3

SMILES

N#Cc1ccc(OC(=O)OCC(Cl)(Cl)Cl)cc1

Molecular Weight¹

294.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	-102.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.78	kJ/mol	Joback Calculated Property
ΔfusH°	25.97	kJ/mol	Joback Calculated Property
ΔvapH°	74.70	kJ/mol	Joback Calculated Property
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	3.444		Crippen Calculated Property
McVol	179.410	ml/mol	McGowan Calculated Property
Pc	2629.85	kPa	Joback Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	769.71	K	Joback Calculated Property
Tc	1015.64	K	Joback Calculated Property
Tfus	492.96	K	Joback Calculated Property
Vc	0.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.40; 443.93]	J/mol×K	[769.71; 1015.64]
Cp,gas	408.40	J/mol×K	769.71	Joback Calculated Property
Cp,gas	416.27	J/mol×K	810.70	Joback Calculated Property
Cp,gas	423.32	J/mol×K	851.69	Joback Calculated Property
Cp,gas	429.57	J/mol×K	892.68	Joback Calculated Property
Cp,gas	435.07	J/mol×K	933.67	Joback Calculated Property
Cp,gas	439.84	J/mol×K	974.65	Joback Calculated Property
Cp,gas	443.93	J/mol×K	1015.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 4-cyanophenyl ester.

Sources

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

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