Chemical Properties of Phthalic acid, undecyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C26H31F3O4/c1-2-3-4-5-6-7-8-9-12-15-32-25(30)20-13-10-11-14-21(20)26(31)33-18-19-16-23(28)24(29)17-22(19)27/h10-11,13-14,16-17H,2-9,12,15,18H2,1H3

InChI Key

WEZTWGMVOALTPJ-UHFFFAOYSA-N

Formula

C26H31F3O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

464.52

• 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°	-697.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1230.72	kJ/mol	Joback Calculated Property
ΔfusH°	64.44	kJ/mol	Joback Calculated Property
ΔvapH°	96.53	kJ/mol	Joback Calculated Property
log10WS	-9.25		Crippen Calculated Property
logPoct/wat	7.149		Crippen Calculated Property
McVol	349.870	ml/mol	McGowan Calculated Property
Pc	1004.62	kPa	Joback Calculated Property
Inp	[3168.00; 3168.00]
Inp	3168.00		NIST
Inp	3168.00		NIST
Tboil	1017.95	K	Joback Calculated Property
Tc	1246.72	K	Joback Calculated Property
Tfus	631.79	K	Joback Calculated Property
Vc	1.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1154.69; 1213.99]	J/mol×K	[1017.95; 1246.72]
Cp,gas	1154.69	J/mol×K	1017.95	Joback Calculated Property
Cp,gas	1168.31	J/mol×K	1056.08	Joback Calculated Property
Cp,gas	1180.38	J/mol×K	1094.21	Joback Calculated Property
Cp,gas	1190.93	J/mol×K	1132.33	Joback Calculated Property
Cp,gas	1200.02	J/mol×K	1170.46	Joback Calculated Property
Cp,gas	1207.69	J/mol×K	1208.59	Joback Calculated Property
Cp,gas	1213.99	J/mol×K	1246.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, undecyl 2,4,5-trifluorobenzyl 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.