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

InChI

InChI=1S/C21H16F8O4/c22-18(23)20(26,27)21(28,29)19(24,25)12-32-16(30)10-11-17(31)33-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,18H,10-12H2

InChI Key

NVHWSQQUMUOYQA-UHFFFAOYSA-N

Formula

C21H16F8O4

SMILES

O=C(CCC(=O)Oc1ccc(-c2ccccc2)cc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

484.34

• 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	0.9032		Relay (1.0) Calculated Property
ΔfG°	-1679.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2207.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	112.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	5.753		Crippen Calculated Property
McVol	288.270	ml/mol	McGowan Calculated Property
Pc	1284.67	kPa	Joback Calculated Property
Inp	[2547.00; 2547.00]
Inp	2547.00		NIST
Inp	2547.00		NIST
Tboil	682.98	K	Relay (1.0) Calculated Property
Tc	869.26	K	Relay (1.0) Calculated Property
Tfus	377.44	K	Relay (1.0) Calculated Property
Vc	1.052	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.04; 957.78]	J/mol×K	[874.83; 1078.31]
Cp,gas	901.04	J/mol×K	874.83	Joback Calculated Property
Cp,gas	912.61	J/mol×K	908.74	Joback Calculated Property
Cp,gas	923.21	J/mol×K	942.66	Joback Calculated Property
Cp,gas	932.94	J/mol×K	976.57	Joback Calculated Property
Cp,gas	941.88	J/mol×K	1010.48	Joback Calculated Property
Cp,gas	950.13	J/mol×K	1044.39	Joback Calculated Property
Cp,gas	957.78	J/mol×K	1078.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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