Chemical Properties of 3-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C11H8ClF3O2/c12-5-2-6-17-10(16)8-3-1-4-9(7-8)11(13,14)15/h1-5,7H,6H2/b5-2+

InChI Key

PUYCTCTXIMUWRA-GORDUTHDSA-N

Formula

C11H8ClF3O2

SMILES

O=C(OCC=CCl)c1cccc(C(F)(F)F)c1

Molecular Weight¹

264.63

• 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°	-602.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.71	kJ/mol	Joback Calculated Property
ΔfusH°	26.91	kJ/mol	Joback Calculated Property
ΔvapH°	52.77	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	162.780	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST
Tboil	595.20	K	Joback Calculated Property
Tc	800.74	K	Joback Calculated Property
Tfus	353.86	K	Joback Calculated Property
Vc	0.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.52; 437.85]	J/mol×K	[595.20; 800.74]
Cp,gas	380.52	J/mol×K	595.20	Joback Calculated Property
Cp,gas	391.98	J/mol×K	629.46	Joback Calculated Property
Cp,gas	402.62	J/mol×K	663.71	Joback Calculated Property
Cp,gas	412.48	J/mol×K	697.97	Joback Calculated Property
Cp,gas	421.60	J/mol×K	732.23	Joback Calculated Property
Cp,gas	430.04	J/mol×K	766.48	Joback Calculated Property
Cp,gas	437.85	J/mol×K	800.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester.

Sources

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

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