Chemical Properties of Succinic acid, 3,5-difluorophenyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C14H9F9O4/c15-7-3-8(16)5-9(4-7)27-11(25)2-1-10(24)26-6-12(17,18)13(19,20)14(21,22)23/h3-5H,1-2,6H2

InChI Key

IWLJFDSOJKLONE-UHFFFAOYSA-N

Formula

C14H9F9O4

SMILES

O=C(CCC(=O)Oc1cc(F)cc(F)c1)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

412.20

• 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	0.7964		Relay (... Calculated Property
ΔfG°	-2052.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-2483.14	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.33	kJ/mol	Joback Calculated Property
ΔvapH°	80.45	kJ/mol	Relay (... Calculated Property
IE	9.54	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	4.026		Crippen Calculated Property
McVol	215.170	ml/mol	McGowan Calculated Property
Pc	1578.46	kPa	Joback Calculated Property
Inp	[1546.00; 1546.00]
Inp	1546.00		NIST
Inp	1546.00		NIST
Tboil	533.96	K	Relay (... Calculated Property
Tc	685.70	K	Relay (... Calculated Property
Tfus	295.02	K	Relay (... Calculated Property
Vc	0.807	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[618.71; 672.60]	J/mol×K	[692.68; 865.59]
Cp,gas	618.71	J/mol×K	692.68	Joback Calculated Property
Cp,gas	629.45	J/mol×K	721.50	Joback Calculated Property
Cp,gas	639.44	J/mol×K	750.32	Joback Calculated Property
Cp,gas	648.71	J/mol×K	779.13	Joback Calculated Property
Cp,gas	657.30	J/mol×K	807.95	Joback Calculated Property
Cp,gas	665.25	J/mol×K	836.77	Joback Calculated Property
Cp,gas	672.60	J/mol×K	865.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-difluorophenyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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

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