Chemical Properties of Succinic acid, 4-fluorophenethyl isobutyl ester

InChI

InChI=1S/C16H21FO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3

InChI Key

PURGHIDVFFXMQI-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CC(C)COC(=O)CCC(=O)OCCc1ccc(F)cc1

Molecular Weight¹

296.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7830		Relay (1.0) Calculated Property
ΔfG°	-478.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-968.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	90.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	2.891		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	608.88	K	Relay (1.0) Calculated Property
Tc	779.62	K	Relay (1.0) Calculated Property
Tfus	286.97	K	Relay (1.0) Calculated Property
Vc	0.855	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.73; 731.34]	J/mol×K	[748.55; 946.59]
Cp,gas	656.73	J/mol×K	748.55	Joback Calculated Property
Cp,gas	671.50	J/mol×K	781.56	Joback Calculated Property
Cp,gas	685.32	J/mol×K	814.56	Joback Calculated Property
Cp,gas	698.20	J/mol×K	847.57	Joback Calculated Property
Cp,gas	710.16	J/mol×K	880.57	Joback Calculated Property
Cp,gas	721.20	J/mol×K	913.58	Joback Calculated Property
Cp,gas	731.34	J/mol×K	946.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-fluorophenethyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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