Chemical Properties of Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester

InChI

InChI=1S/C22H24F2O4/c1-3-4-5-8-14-27-21(25)16-10-6-7-11-17(16)22(26)28-15(2)20-18(23)12-9-13-19(20)24/h6-7,9-13,15H,3-5,8,14H2,1-2H3

InChI Key

PIHPZRHOFCPCCY-UHFFFAOYSA-N

Formula

C22H24F2O4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

390.42

• 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°	-529.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.86	kJ/mol	Joback Calculated Property
ΔfusH°	47.86	kJ/mol	Joback Calculated Property
ΔvapH°	87.39	kJ/mol	Joback Calculated Property
log10WS	-7.20		Crippen Calculated Property
logPoct/wat	5.620		Crippen Calculated Property
McVol	291.740	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[2539.00; 2539.00]
Inp	2539.00		NIST
Inp	2539.00		NIST
Tboil	921.74	K	Joback Calculated Property
Tc	1138.00	K	Joback Calculated Property
Tfus	558.60	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.41; 972.15]	J/mol×K	[921.74; 1138.00]
Cp,gas	910.41	J/mol×K	921.74	Joback Calculated Property
Cp,gas	923.81	J/mol×K	957.78	Joback Calculated Property
Cp,gas	935.93	J/mol×K	993.83	Joback Calculated Property
Cp,gas	946.79	J/mol×K	1029.87	Joback Calculated Property
Cp,gas	956.42	J/mol×K	1065.91	Joback Calculated Property
Cp,gas	964.87	J/mol×K	1101.95	Joback Calculated Property
Cp,gas	972.15	J/mol×K	1138.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 1-(2,6-difluorophenyl)ethyl hexyl ester.

Sources

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

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