Chemical Properties of 6-Fluoro-3-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester

InChI

InChI=1S/C12H13F4NO2/c1-17(2)5-6-19-11(18)9-7-8(12(14,15)16)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3

InChI Key

SLOQOUDOFJEKOQ-UHFFFAOYSA-N

Formula

C12H13F4NO2

SMILES

CN(C)CCOC(=O)c1cc(C(F)(F)F)ccc1F

Molecular Weight¹

279.23

Other Names

• 6-Fluoro-3-trifluorobenzoic acid, 2-dimethylaminoethyl ester

• 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°	-756.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1047.88	kJ/mol	Joback Calculated Property
ΔfusH°	30.81	kJ/mol	Joback Calculated Property
ΔvapH°	52.54	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen Calculated Property
logPoct/wat	2.563		Crippen Calculated Property
McVol	180.680	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1488.00; 1488.00]
Inp	1488.00		NIST
Inp	1488.00		NIST
Tboil	593.18	K	Joback Calculated Property
Tc	774.75	K	Joback Calculated Property
Tfus	385.87	K	Joback Calculated Property
Vc	0.703	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.78; 534.39]	J/mol×K	[593.18; 774.75]
Cp,gas	465.78	J/mol×K	593.18	Joback Calculated Property
Cp,gas	479.04	J/mol×K	623.44	Joback Calculated Property
Cp,gas	491.53	J/mol×K	653.70	Joback Calculated Property
Cp,gas	503.28	J/mol×K	683.97	Joback Calculated Property
Cp,gas	514.32	J/mol×K	714.23	Joback Calculated Property
Cp,gas	524.68	J/mol×K	744.49	Joback Calculated Property
Cp,gas	534.39	J/mol×K	774.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Fluoro-3-trifluoromethylbenzoic acid, 2-dimethylaminoethyl 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.