Chemical Properties of 2-Trifluoromethylbenzoic acid, undec-2-enyl ester

InChI

InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-9-12-15-24-18(23)16-13-10-11-14-17(16)19(20,21)22/h9-14H,2-8,15H2,1H3/b12-9+

InChI Key

BBHTYTSIPZOKRX-FMIVXFBMSA-N

Formula

C19H25F3O2

SMILES

CCCCCCCCC=CCOC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

342.40

• 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°	-523.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-935.09	kJ/mol	Joback Calculated Property
ΔfusH°	43.43	kJ/mol	Joback Calculated Property
ΔvapH°	66.19	kJ/mol	Joback Calculated Property
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	6.169		Crippen Calculated Property
McVol	263.260	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[2051.00; 2051.00]
Inp	2051.00		NIST
Inp	2051.00		NIST
Tboil	740.81	K	Joback Calculated Property
Tc	927.72	K	Joback Calculated Property
Tfus	414.10	K	Joback Calculated Property
Vc	1.038	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.01; 852.47]	J/mol×K	[740.81; 927.72]
Cp,gas	769.01	J/mol×K	740.81	Joback Calculated Property
Cp,gas	785.09	J/mol×K	771.96	Joback Calculated Property
Cp,gas	800.23	J/mol×K	803.11	Joback Calculated Property
Cp,gas	814.49	J/mol×K	834.27	Joback Calculated Property
Cp,gas	827.91	J/mol×K	865.42	Joback Calculated Property
Cp,gas	840.56	J/mol×K	896.57	Joback Calculated Property
Cp,gas	852.47	J/mol×K	927.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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