Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C13H9F7O4/c14-6-1-2-7(11(16)10(6)15)24-9(22)4-3-8(21)23-5-13(19,20)12(17)18/h1-2,12H,3-5H2

InChI Key

MQEOLGLKLUCORE-UHFFFAOYSA-N

Formula

C13H9F7O4

SMILES

O=C(CCC(=O)Oc1ccc(F)c(F)c1F)OCC(F)(F)C(F)F

Molecular Weight¹

362.20

• 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	0.7749		Relay (1.0) Calculated Property
ΔfG°	-1689.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1955.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.50	kJ/mol	Joback Calculated Property
ΔvapH°	81.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	3.233		Crippen Calculated Property
McVol	197.540	ml/mol	McGowan Calculated Property
Pc	1771.36	kPa	Joback Calculated Property
Inp	[1630.00; 1630.00]
Inp	1630.00		NIST
Inp	1630.00		NIST
Tboil	535.52	K	Relay (1.0) Calculated Property
Tc	726.10	K	Relay (1.0) Calculated Property
Tfus	329.36	K	Relay (1.0) Calculated Property
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.96; 599.65]	J/mol×K	[682.26; 856.36]
Cp,gas	544.96	J/mol×K	682.26	Joback Calculated Property
Cp,gas	555.63	J/mol×K	711.28	Joback Calculated Property
Cp,gas	565.67	J/mol×K	740.29	Joback Calculated Property
Cp,gas	575.07	J/mol×K	769.31	Joback Calculated Property
Cp,gas	583.87	J/mol×K	798.33	Joback Calculated Property
Cp,gas	592.06	J/mol×K	827.34	Joback Calculated Property
Cp,gas	599.65	J/mol×K	856.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 2,3,4-trifluorophenyl ester.

Sources

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

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