Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluorophenyl ester

InChI

InChI=1S/C15H11F9O4/c16-8-3-1-2-4-9(8)28-11(26)6-5-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-4,12H,5-7H2

InChI Key

KOMAXFNMGTXZSO-UHFFFAOYSA-N

Formula

C15H11F9O4

SMILES

O=C(CCC(=O)Oc1ccccc1F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

426.23

• 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	0.8022		Relay (1.0) Calculated Property
ΔfG°	-2036.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2459.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.79	kJ/mol	Joback Calculated Property
ΔvapH°	88.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.225		Crippen Calculated Property
McVol	229.260	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[1718.00; 1718.00]
Inp	1718.00		NIST
Inp	1718.00		NIST
Tboil	561.35	K	Relay (1.0) Calculated Property
Tc	743.39	K	Relay (1.0) Calculated Property
Tfus	330.02	K	Relay (1.0) Calculated Property
Vc	0.858	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.47; 729.73]	J/mol×K	[710.14; 884.59]
Cp,gas	672.47	J/mol×K	710.14	Joback Calculated Property
Cp,gas	683.91	J/mol×K	739.22	Joback Calculated Property
Cp,gas	694.54	J/mol×K	768.29	Joback Calculated Property
Cp,gas	704.39	J/mol×K	797.37	Joback Calculated Property
Cp,gas	713.50	J/mol×K	826.44	Joback Calculated Property
Cp,gas	721.94	J/mol×K	855.52	Joback Calculated Property
Cp,gas	729.73	J/mol×K	884.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-fluorophenyl ester.

Sources

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

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