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

InChI

InChI=1S/C11H8ClF3O2/c12-6-3-7-17-10(16)8-4-1-2-5-9(8)11(13,14)15/h1-6H,7H2/b6-3+

InChI Key

AJIWSLNUUWHSFI-ZZXKWVIFSA-N

Formula

C11H8ClF3O2

SMILES

O=C(OCC=CCl)c1ccccc1C(F)(F)F

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	[1441.00; 1441.00]
Inp	1441.00		NIST
Inp	1441.00		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 2-Trifluoromethylbenzoic acid, 3-chloroprop-2-enyl ester.

Sources

• 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.