Chemical Properties of Succinic acid, 2-fluorophenyl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C16H21FO4/c1-11(16(2,3)4)20-14(18)9-10-15(19)21-13-8-6-5-7-12(13)17/h5-8,11H,9-10H2,1-4H3

InChI Key

MLIYEOSHGIKZQU-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CC(OC(=O)CCC(=O)Oc1ccccc1F)C(C)(C)C

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	0.7090		Relay (1.0) Calculated Property
ΔfG°	-475.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.57	kJ/mol	Joback Calculated Property
ΔvapH°	82.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.489		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[1897.00; 1897.00]
Inp	1897.00		NIST
Inp	1897.00		NIST
Tboil	568.40	K	Relay (1.0) Calculated Property
Tc	781.49	K	Relay (1.0) Calculated Property
Tfus	345.24	K	Relay (1.0) Calculated Property
Vc	0.828	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.88; 734.44]	J/mol×K	[745.32; 951.54]
Cp,gas	658.88	J/mol×K	745.32	Joback Calculated Property
Cp,gas	673.97	J/mol×K	779.69	Joback Calculated Property
Cp,gas	688.02	J/mol×K	814.06	Joback Calculated Property
Cp,gas	701.06	J/mol×K	848.43	Joback Calculated Property
Cp,gas	713.13	J/mol×K	882.80	Joback Calculated Property
Cp,gas	724.24	J/mol×K	917.17	Joback Calculated Property
Cp,gas	734.44	J/mol×K	951.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 3,3-dimethylbut-2-yl ester.

Sources

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

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