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

InChI

InChI=1S/C27H43F3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-27(31)22-21-23(28)25(30)26(32-2)24(22)29/h21H,3-20H2,1-2H3

InChI Key

ADARQHFTLBMETO-UHFFFAOYSA-N

Formula

C27H43F3O3

SMILES

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

Molecular Weight¹

472.62

• 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°	-673.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1375.31	kJ/mol	Joback Calculated Property
ΔfusH°	71.39	kJ/mol	Joback Calculated Property
ΔvapH°	89.73	kJ/mol	Joback Calculated Property
log10WS	-10.36		Crippen Calculated Property
logPoct/wat	8.921		Crippen Calculated Property
McVol	386.150	ml/mol	McGowan Calculated Property
Pc	752.67	kPa	Joback Calculated Property
Inp	[3070.00; 3070.00]
Inp	3070.00		NIST
Inp	3070.00		NIST
Tboil	960.28	K	Joback Calculated Property
Tc	1182.85	K	Joback Calculated Property
Tfus	566.71	K	Joback Calculated Property
Vc	1.536	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1307.90; 1400.97]	J/mol×K	[960.28; 1182.85]
Cp,gas	1307.90	J/mol×K	960.28	Joback Calculated Property
Cp,gas	1327.51	J/mol×K	997.37	Joback Calculated Property
Cp,gas	1345.42	J/mol×K	1034.47	Joback Calculated Property
Cp,gas	1361.68	J/mol×K	1071.56	Joback Calculated Property
Cp,gas	1376.33	J/mol×K	1108.66	Joback Calculated Property
Cp,gas	1389.42	J/mol×K	1145.75	Joback Calculated Property
Cp,gas	1400.97	J/mol×K	1182.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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