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

InChI

InChI=1S/C19H16F4O4/c1-2-3-8-26-18(24)12-6-4-5-7-13(12)19(25)27-10-11-9-14(20)16(22)17(23)15(11)21/h4-7,9H,2-3,8,10H2,1H3

InChI Key

LCDDYAZXEHNOKU-UHFFFAOYSA-N

Formula

C19H16F4O4

SMILES

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

Molecular Weight¹

384.32

• 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°	-961.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1293.82	kJ/mol	Joback Calculated Property
ΔfusH°	49.00	kJ/mol	Joback Calculated Property
ΔvapH°	80.79	kJ/mol	Joback Calculated Property
log10WS	-6.65		Crippen Calculated Property
logPoct/wat	4.557		Crippen Calculated Property
McVol	253.010	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	862.04	K	Joback Calculated Property
Tc	1067.86	K	Joback Calculated Property
Tfus	566.01	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.10; 804.94]	J/mol×K	[862.04; 1067.86]
Cp,gas	749.10	J/mol×K	862.04	Joback Calculated Property
Cp,gas	761.00	J/mol×K	896.34	Joback Calculated Property
Cp,gas	771.86	J/mol×K	930.65	Joback Calculated Property
Cp,gas	781.67	J/mol×K	964.95	Joback Calculated Property
Cp,gas	790.44	J/mol×K	999.25	Joback Calculated Property
Cp,gas	798.20	J/mol×K	1033.55	Joback Calculated Property
Cp,gas	804.94	J/mol×K	1067.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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