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

InChI

InChI=1S/C25H39F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-25(29)20-19-21(26)23(28)24(30-2)22(20)27/h19H,3-18H2,1-2H3

InChI Key

KZZLAHHYIWSXAB-UHFFFAOYSA-N

Formula

C25H39F3O3

SMILES

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

Molecular Weight¹

444.57

• 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	1.1974		Relay (... Calculated Property
ΔfG°	-689.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1233.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.21	kJ/mol	Joback Calculated Property
ΔvapH°	119.85	kJ/mol	Relay (... Calculated Property
IE	9.21	eV	Relay (... Calculated Property
log10WS	-8.61		Relay (... Calculated Property
logPoct/wat	8.141		Crippen Calculated Property
McVol	357.970	ml/mol	McGowan Calculated Property
Pc	838.70	kPa	Joback Calculated Property
Inp	[2847.00; 2847.00]
Inp	2847.00		NIST
Inp	2847.00		NIST
Tboil	651.66	K	Relay (... Calculated Property
Tc	849.42	K	Relay (... Calculated Property
Tfus	332.62	K	Relay (... Calculated Property
Vc	1.370	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1182.17; 1272.91]	J/mol×K	[914.52; 1121.10]
Cp,gas	1182.17	J/mol×K	914.52	Joback Calculated Property
Cp,gas	1200.72	J/mol×K	948.95	Joback Calculated Property
Cp,gas	1217.86	J/mol×K	983.38	Joback Calculated Property
Cp,gas	1233.63	J/mol×K	1017.81	Joback Calculated Property
Cp,gas	1248.04	J/mol×K	1052.24	Joback Calculated Property
Cp,gas	1261.13	J/mol×K	1086.67	Joback Calculated Property
Cp,gas	1272.91	J/mol×K	1121.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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