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

InChI

InChI=1S/C19H16F4O4/c1-10(2)8-26-18(24)12-5-3-4-6-13(12)19(25)27-9-11-7-14(20)16(22)17(23)15(11)21/h3-7,10H,8-9H2,1-2H3

InChI Key

JXTOTORXXQWOPP-UHFFFAOYSA-N

Formula

C19H16F4O4

SMILES

CC(C)COC(=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°	-963.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1299.10	kJ/mol	Joback Calculated Property
ΔfusH°	45.47	kJ/mol	Joback Calculated Property
ΔvapH°	80.41	kJ/mol	Joback Calculated Property
log10WS	-6.41		Crippen Calculated Property
logPoct/wat	4.413		Crippen Calculated Property
McVol	253.010	ml/mol	McGowan Calculated Property
Pc	1556.12	kPa	Joback Calculated Property
Inp	[2166.00; 2166.00]
Inp	2166.00		NIST
Inp	2166.00		NIST
Tboil	861.60	K	Joback Calculated Property
Tc	1069.27	K	Joback Calculated Property
Tfus	551.01	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.67; 805.57]	J/mol×K	[861.60; 1069.27]
Cp,gas	749.67	J/mol×K	861.60	Joback Calculated Property
Cp,gas	761.65	J/mol×K	896.21	Joback Calculated Property
Cp,gas	772.56	J/mol×K	930.82	Joback Calculated Property
Cp,gas	782.40	J/mol×K	965.44	Joback Calculated Property
Cp,gas	791.17	J/mol×K	1000.05	Joback Calculated Property
Cp,gas	798.90	J/mol×K	1034.66	Joback Calculated Property
Cp,gas	805.57	J/mol×K	1069.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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