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

InChI

InChI=1S/C20H29F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-26-20(24)15-14-16(21)18(23)19(25-2)17(15)22/h14H,3-13H2,1-2H3

InChI Key

ZIFLUPHYNIDULO-UHFFFAOYSA-N

Formula

C20H29F3O3

SMILES

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

Molecular Weight¹

374.44

• 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	1.0165		Relay (... Calculated Property
ΔfG°	-731.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1134.20	kJ/mol	Relay (... Calculated Property
ΔfusH°	53.26	kJ/mol	Joback Calculated Property
ΔvapH°	99.69	kJ/mol	Relay (... Calculated Property
IE	9.02	eV	Relay (... Calculated Property
log10WS	-7.24		Relay (... Calculated Property
logPoct/wat	6.190		Crippen Calculated Property
McVol	287.520	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2355.00; 2355.00]
Inp	2355.00		NIST
Inp	2355.00		NIST
Tboil	613.39	K	Relay (... Calculated Property
Tc	809.06	K	Relay (... Calculated Property
Tfus	316.27	K	Relay (... Calculated Property
Vc	1.098	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.22; 962.05]	J/mol×K	[800.12; 984.17]
Cp,gas	878.22	J/mol×K	800.12	Joback Calculated Property
Cp,gas	894.55	J/mol×K	830.80	Joback Calculated Property
Cp,gas	909.93	J/mol×K	861.47	Joback Calculated Property
Cp,gas	924.36	J/mol×K	892.15	Joback Calculated Property
Cp,gas	937.85	J/mol×K	922.82	Joback Calculated Property
Cp,gas	950.41	J/mol×K	953.50	Joback Calculated Property
Cp,gas	962.05	J/mol×K	984.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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