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

• 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°	-790.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1086.35	kJ/mol	Joback Calculated Property
ΔfusH°	35.13	kJ/mol	Joback Calculated Property
ΔvapH°	58.57	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen 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	639.96	K	Joback Calculated Property
Tc	821.38	K	Joback Calculated Property
Tfus	408.93	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback 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

• 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.