Chemical Properties of Succinic acid, 2-fluorophenyl pent-4-en-2-yl ester

InChI

InChI=1S/C15H17FO4/c1-3-6-11(2)19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h3-5,7-8,11H,1,6,9-10H2,2H3

InChI Key

AFUDNMPIUGFLGV-UHFFFAOYSA-N

Formula

C15H17FO4

SMILES

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

Molecular Weight¹

280.29

• 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	0.6915		Relay (1.0) Calculated Property
ΔfG°	-399.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-835.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.11	kJ/mol	Joback Calculated Property
ΔvapH°	83.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.019		Crippen Calculated Property
McVol	210.800	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1852.00; 1852.00]
Inp	1852.00		NIST
Inp	1852.00		NIST
Tboil	570.57	K	Relay (1.0) Calculated Property
Tc	772.96	K	Relay (1.0) Calculated Property
Tfus	292.59	K	Relay (1.0) Calculated Property
Vc	0.754	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.66; 647.59]	J/mol×K	[722.35; 924.80]
Cp,gas	577.66	J/mol×K	722.35	Joback Calculated Property
Cp,gas	591.52	J/mol×K	756.09	Joback Calculated Property
Cp,gas	604.49	J/mol×K	789.83	Joback Calculated Property
Cp,gas	616.56	J/mol×K	823.58	Joback Calculated Property
Cp,gas	627.76	J/mol×K	857.32	Joback Calculated Property
Cp,gas	638.10	J/mol×K	891.06	Joback Calculated Property
Cp,gas	647.59	J/mol×K	924.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl pent-4-en-2-yl ester.

Sources

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

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