Chemical Properties of Phthalic acid, 2-(2-fluorophenyl)ethyl heptyl ester

InChI

InChI=1S/C23H27FO4/c1-2-3-4-5-10-16-27-22(25)19-12-7-8-13-20(19)23(26)28-17-15-18-11-6-9-14-21(18)24/h6-9,11-14H,2-5,10,15-17H2,1H3

InChI Key

VNWFLCBEYWGMCC-UHFFFAOYSA-N

Formula

C23H27FO4

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1F

Molecular Weight¹

386.46

• 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°	-314.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.64	kJ/mol	Joback Calculated Property
ΔfusH°	51.28	kJ/mol	Joback Calculated Property
ΔvapH°	90.16	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	5.352		Crippen Calculated Property
McVol	304.060	ml/mol	McGowan Calculated Property
Pc	1325.20	kPa	Joback Calculated Property
Inp	[2764.00; 2764.00]
Inp	2764.00		NIST
Inp	2764.00		NIST
Tboil	940.81	K	Joback Calculated Property
Tc	1159.53	K	Joback Calculated Property
Tfus	571.76	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.99; 1027.43]	J/mol×K	[940.81; 1159.53]
Cp,gas	962.99	J/mol×K	940.81	Joback Calculated Property
Cp,gas	976.89	J/mol×K	977.26	Joback Calculated Property
Cp,gas	989.48	J/mol×K	1013.72	Joback Calculated Property
Cp,gas	1000.79	J/mol×K	1050.17	Joback Calculated Property
Cp,gas	1010.85	J/mol×K	1086.62	Joback Calculated Property
Cp,gas	1019.72	J/mol×K	1123.07	Joback Calculated Property
Cp,gas	1027.43	J/mol×K	1159.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(2-fluorophenyl)ethyl heptyl ester.

Sources

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

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