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

InChI

InChI=1S/C22H22F4O4/c1-2-3-4-5-8-11-29-21(27)15-9-6-7-10-16(15)22(28)30-13-14-12-17(23)19(25)20(26)18(14)24/h6-7,9-10,12H,2-5,8,11,13H2,1H3

InChI Key

LIKBUXLLHRXIFU-UHFFFAOYSA-N

Formula

C22H22F4O4

SMILES

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

Molecular Weight¹

426.40

• 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°	-936.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1355.74	kJ/mol	Joback Calculated Property
ΔfusH°	56.77	kJ/mol	Joback Calculated Property
ΔvapH°	87.47	kJ/mol	Joback Calculated Property
log10WS	-7.90		Crippen Calculated Property
logPoct/wat	5.727		Crippen Calculated Property
McVol	295.280	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	930.68	K	Joback Calculated Property
Tc	1141.76	K	Joback Calculated Property
Tfus	599.82	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[921.80; 979.11]	J/mol×K	[930.68; 1141.76]
Cp,gas	921.80	J/mol×K	930.68	Joback Calculated Property
Cp,gas	934.38	J/mol×K	965.86	Joback Calculated Property
Cp,gas	945.72	J/mol×K	1001.04	Joback Calculated Property
Cp,gas	955.84	J/mol×K	1036.22	Joback Calculated Property
Cp,gas	964.77	J/mol×K	1071.40	Joback Calculated Property
Cp,gas	972.52	J/mol×K	1106.58	Joback Calculated Property
Cp,gas	979.11	J/mol×K	1141.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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