Chemical Properties of 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester

InChI

InChI=1S/C13H15F3O3/c1-3-4-5-6-19-13(17)8-7-9(14)11(16)12(18-2)10(8)15/h7H,3-6H2,1-2H3

InChI Key

OGTBZRYVGJYGGC-UHFFFAOYSA-N

Formula

C13H15F3O3

SMILES

CCCCCOC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

276.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7473		Relay (... Calculated Property
ΔfG°	-790.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1001.22	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.13	kJ/mol	Joback Calculated Property
ΔvapH°	72.11	kJ/mol	Relay (... Calculated Property
IE	8.97	eV	Relay (... Calculated Property
log10WS	-4.91		Relay (... Calculated Property
logPoct/wat	3.460		Crippen Calculated Property
McVol	188.890	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[1639.00; 1639.00]
Inp	1639.00		NIST
Inp	1639.00		NIST
Tboil	541.28	K	Relay (... Calculated Property
Tc	736.99	K	Relay (... Calculated Property
Tfus	283.83	K	Relay (... Calculated Property
Vc	0.714	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.93; 560.54]	J/mol×K	[639.96; 821.38]
Cp,gas	491.93	J/mol×K	639.96	Joback Calculated Property
Cp,gas	504.85	J/mol×K	670.20	Joback Calculated Property
Cp,gas	517.18	J/mol×K	700.43	Joback Calculated Property
Cp,gas	528.92	J/mol×K	730.67	Joback Calculated Property
Cp,gas	540.06	J/mol×K	760.90	Joback Calculated Property
Cp,gas	550.60	J/mol×K	791.14	Joback Calculated Property
Cp,gas	560.54	J/mol×K	821.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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