Chemical Properties of 2,3,4-Trifluorobenzoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C15H11F3O2/c1-8-5-9(2)7-10(6-8)20-15(19)11-3-4-12(16)14(18)13(11)17/h3-7H,1-2H3

InChI Key

JFBJHQAKRZWJKB-UHFFFAOYSA-N

Formula

C15H11F3O2

SMILES

Cc1cc(C)cc(OC(=O)c2ccc(F)c(F)c2F)c1

Molecular Weight¹

280.24

• 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°	-566.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-770.35	kJ/mol	Joback Calculated Property
ΔfusH°	32.77	kJ/mol	Joback Calculated Property
ΔvapH°	63.55	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	3.940		Crippen Calculated Property
McVol	187.440	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[1785.00; 1785.00]
Inp	1785.00		NIST
Inp	1785.00		NIST
Tboil	694.96	K	Joback Calculated Property
Tc	907.10	K	Joback Calculated Property
Tfus	448.18	K	Joback Calculated Property
Vc	0.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.58; 550.31]	J/mol×K	[694.96; 907.10]
Cp,gas	485.58	J/mol×K	694.96	Joback Calculated Property
Cp,gas	498.43	J/mol×K	730.32	Joback Calculated Property
Cp,gas	510.44	J/mol×K	765.67	Joback Calculated Property
Cp,gas	521.62	J/mol×K	801.03	Joback Calculated Property
Cp,gas	531.98	J/mol×K	836.38	Joback Calculated Property
Cp,gas	541.54	J/mol×K	871.74	Joback Calculated Property
Cp,gas	550.31	J/mol×K	907.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 3,5-dimethylphenyl 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.