Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester

InChI

InChI=1S/C13H15F3O3/c1-4-5-7(2)19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3

InChI Key

JJKLDONKRFXHCR-UHFFFAOYSA-N

Formula

C13H15F3O3

SMILES

CCCC(C)OC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

276.25

• 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°	-793.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1091.63	kJ/mol	Joback Calculated Property
ΔfusH°	31.60	kJ/mol	Joback Calculated Property
ΔvapH°	58.18	kJ/mol	Joback Calculated Property
log10WS	-4.61		Crippen Calculated Property
logPoct/wat	3.458		Crippen Calculated Property
McVol	188.890	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[1560.00; 1560.00]
Inp	1560.00		NIST
Inp	1560.00		NIST
Tboil	639.52	K	Joback Calculated Property
Tc	823.86	K	Joback Calculated Property
Tfus	393.93	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.40; 562.07]	J/mol×K	[639.52; 823.86]
Cp,gas	492.40	J/mol×K	639.52	Joback Calculated Property
Cp,gas	505.56	J/mol×K	670.24	Joback Calculated Property
Cp,gas	518.11	J/mol×K	700.97	Joback Calculated Property
Cp,gas	530.04	J/mol×K	731.69	Joback Calculated Property
Cp,gas	541.35	J/mol×K	762.42	Joback Calculated Property
Cp,gas	552.03	J/mol×K	793.14	Joback Calculated Property
Cp,gas	562.07	J/mol×K	823.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester.

Sources

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

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