Chemical Properties of Phthalic acid, hexyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C21H20F4O4/c1-2-3-4-7-10-28-20(26)14-8-5-6-9-15(14)21(27)29-12-13-11-16(22)18(24)19(25)17(13)23/h5-6,8-9,11H,2-4,7,10,12H2,1H3

InChI Key

BOPCDMJUVHYXRB-UHFFFAOYSA-N

Formula

C21H20F4O4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

412.37

• 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°	-944.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-1335.10	kJ/mol	Joback Calculated Property
ΔfusH°	54.18	kJ/mol	Joback Calculated Property
ΔvapH°	85.25	kJ/mol	Joback Calculated Property
log10WS	-7.49		Crippen Calculated Property
logPoct/wat	5.337		Crippen Calculated Property
McVol	281.190	ml/mol	McGowan Calculated Property
Pc	1336.86	kPa	Joback Calculated Property
Inp	[2406.00; 2406.00]
Inp	2406.00		NIST
Inp	2406.00		NIST
Tboil	907.80	K	Joback Calculated Property
Tc	1116.31	K	Joback Calculated Property
Tfus	588.55	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[863.55; 920.55]	J/mol×K	[907.80; 1116.31]
Cp,gas	863.55	J/mol×K	907.80	Joback Calculated Property
Cp,gas	875.92	J/mol×K	942.55	Joback Calculated Property
Cp,gas	887.11	J/mol×K	977.30	Joback Calculated Property
Cp,gas	897.16	J/mol×K	1012.05	Joback Calculated Property
Cp,gas	906.07	J/mol×K	1046.80	Joback Calculated Property
Cp,gas	913.87	J/mol×K	1081.55	Joback Calculated Property
Cp,gas	920.55	J/mol×K	1116.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hexyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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