Chemical Properties of Sebacic acid, 2-(2-fluorophenyl)ethyl isobutyl ester

InChI

InChI=1S/C22H33FO4/c1-18(2)17-27-22(25)14-8-6-4-3-5-7-13-21(24)26-16-15-19-11-9-10-12-20(19)23/h9-12,18H,3-8,13-17H2,1-2H3

InChI Key

YFYSZUKJFCCQER-UHFFFAOYSA-N

Formula

C22H33FO4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)OCCc1ccccc1F

Molecular Weight¹

380.49

• 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°	-427.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-963.34	kJ/mol	Joback Calculated Property
ΔfusH°	51.52	kJ/mol	Joback Calculated Property
ΔvapH°	84.61	kJ/mol	Joback Calculated Property
log10WS	-5.95		Crippen Calculated Property
logPoct/wat	5.231		Crippen Calculated Property
McVol	313.730	ml/mol	McGowan Calculated Property
Pc	1142.12	kPa	Joback Calculated Property
Inp	[2619.00; 2619.00]
Inp	2619.00		NIST
Inp	2619.00		NIST
Tboil	885.83	K	Joback Calculated Property
Tc	1087.56	K	Joback Calculated Property
Tfus	506.55	K	Joback Calculated Property
Vc	1.220	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.95; 1085.01]	J/mol×K	[885.83; 1087.56]
Cp,gas	1004.95	J/mol×K	885.83	Joback Calculated Property
Cp,gas	1021.27	J/mol×K	919.45	Joback Calculated Property
Cp,gas	1036.35	J/mol×K	953.07	Joback Calculated Property
Cp,gas	1050.24	J/mol×K	986.69	Joback Calculated Property
Cp,gas	1062.96	J/mol×K	1020.32	Joback Calculated Property
Cp,gas	1074.54	J/mol×K	1053.94	Joback Calculated Property
Cp,gas	1085.01	J/mol×K	1087.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-(2-fluorophenyl)ethyl isobutyl ester.

Sources

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

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