Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2-dimethylaminoethyl ester

InChI

InChI=1S/C12H15F2NO2/c1-8-4-5-9(13)10(11(8)14)12(16)17-7-6-15(2)3/h4-5H,6-7H2,1-3H3

InChI Key

HUWOLAOZCUQHAP-UHFFFAOYSA-N

Formula

C12H15F2NO2

SMILES

Cc1ccc(F)c(C(=O)OCCN(C)C)c1F

Molecular Weight¹

243.25

• 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°	-379.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-658.38	kJ/mol	Joback Calculated Property
ΔfusH°	31.68	kJ/mol	Joback Calculated Property
ΔvapH°	56.13	kJ/mol	Joback Calculated Property
log10WS	-2.68		Crippen Calculated Property
logPoct/wat	1.992		Crippen Calculated Property
McVol	177.140	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
Inp	[1622.00; 1622.00]
Inp	1622.00		NIST
Inp	1622.00		NIST
Tboil	602.85	K	Joback Calculated Property
Tc	791.53	K	Joback Calculated Property
Tfus	394.79	K	Joback Calculated Property
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.83; 517.39]	J/mol×K	[602.85; 791.53]
Cp,gas	445.83	J/mol×K	602.85	Joback Calculated Property
Cp,gas	459.43	J/mol×K	634.30	Joback Calculated Property
Cp,gas	472.35	J/mol×K	665.74	Joback Calculated Property
Cp,gas	484.59	J/mol×K	697.19	Joback Calculated Property
Cp,gas	496.17	J/mol×K	728.64	Joback Calculated Property
Cp,gas	507.10	J/mol×K	760.08	Joback Calculated Property
Cp,gas	517.39	J/mol×K	791.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-dimethylaminoethyl ester.

Sources

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

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