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

InChI

InChI=1S/C24H29FO4/c1-2-3-4-5-6-11-17-28-23(26)20-13-8-9-14-21(20)24(27)29-18-16-19-12-7-10-15-22(19)25/h7-10,12-15H,2-6,11,16-18H2,1H3

InChI Key

KJPHCMCEALOOHO-UHFFFAOYSA-N

Formula

C24H29FO4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1F

Molecular Weight¹

400.48

• 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°	-305.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.28	kJ/mol	Joback Calculated Property
ΔfusH°	53.87	kJ/mol	Joback Calculated Property
ΔvapH°	92.39	kJ/mol	Joback Calculated Property
log10WS	-7.25		Crippen Calculated Property
logPoct/wat	5.742		Crippen Calculated Property
McVol	318.150	ml/mol	McGowan Calculated Property
Pc	1237.22	kPa	Joback Calculated Property
Inp	[2865.00; 2865.00]
Inp	2865.00		NIST
Inp	2865.00		NIST
Tboil	963.69	K	Joback Calculated Property
Tc	1184.18	K	Joback Calculated Property
Tfus	583.03	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1022.64; 1087.07]	J/mol×K	[963.69; 1184.18]
Cp,gas	1022.64	J/mol×K	963.69	Joback Calculated Property
Cp,gas	1036.65	J/mol×K	1000.44	Joback Calculated Property
Cp,gas	1049.29	J/mol×K	1037.19	Joback Calculated Property
Cp,gas	1060.60	J/mol×K	1073.94	Joback Calculated Property
Cp,gas	1070.64	J/mol×K	1110.68	Joback Calculated Property
Cp,gas	1079.45	J/mol×K	1147.43	Joback Calculated Property
Cp,gas	1087.07	J/mol×K	1184.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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