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

InChI

InChI=1S/C17H23F3O3/c1-3-4-5-6-7-8-9-10-23-17(21)12-11-13(18)15(20)16(22-2)14(12)19/h11H,3-10H2,1-2H3

InChI Key

SNMQVKPKVOMNJR-UHFFFAOYSA-N

Formula

C17H23F3O3

SMILES

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

Molecular Weight¹

332.36

• 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°	-757.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1168.91	kJ/mol	Joback Calculated Property
ΔfusH°	45.49	kJ/mol	Joback Calculated Property
ΔvapH°	67.48	kJ/mol	Joback Calculated Property
log10WS	-6.18		Crippen Calculated Property
logPoct/wat	5.020		Crippen Calculated Property
McVol	245.250	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST
Tboil	731.48	K	Joback Calculated Property
Tc	911.20	K	Joback Calculated Property
Tfus	454.01	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.75; 784.38]	J/mol×K	[731.48; 911.20]
Cp,gas	705.75	J/mol×K	731.48	Joback Calculated Property
Cp,gas	720.81	J/mol×K	761.43	Joback Calculated Property
Cp,gas	735.09	J/mol×K	791.39	Joback Calculated Property
Cp,gas	748.58	J/mol×K	821.34	Joback Calculated Property
Cp,gas	761.29	J/mol×K	851.29	Joback Calculated Property
Cp,gas	773.22	J/mol×K	881.25	Joback Calculated Property
Cp,gas	784.38	J/mol×K	911.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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