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

InChI

InChI=1S/C16H11F8NO4/c17-13(18)15(21,22)16(23,24)14(19,20)8-28-11(26)5-6-12(27)29-10-3-1-9(7-25)2-4-10/h1-4,13H,5-6,8H2

InChI Key

VQCODGTWHZFDLT-UHFFFAOYSA-N

Formula

C16H11F8NO4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1

Molecular Weight¹

433.25

• 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).
• 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
ΔfG°	-1700.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-2073.64	kJ/mol	Joback Calculated Property
ΔfusH°	36.80	kJ/mol	Joback Calculated Property
ΔvapH°	72.13	kJ/mol	Joback Calculated Property
log10WS	-5.19		Crippen Calculated Property
logPoct/wat	3.958		Crippen Calculated Property
McVol	242.960	ml/mol	McGowan Calculated Property
Pc	1406.95	kPa	Joback Calculated Property
Inp	[2104.00; 2104.00]
Inp	2104.00		NIST
Inp	2104.00		NIST
Tboil	835.83	K	Joback Calculated Property
Tc	1031.35	K	Joback Calculated Property
Tfus	515.31	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.45; 782.04]	J/mol×K	[835.83; 1031.35]
Cp,gas	736.45	J/mol×K	835.83	Joback Calculated Property
Cp,gas	745.82	J/mol×K	868.42	Joback Calculated Property
Cp,gas	754.40	J/mol×K	901.00	Joback Calculated Property
Cp,gas	762.25	J/mol×K	933.59	Joback Calculated Property
Cp,gas	769.43	J/mol×K	966.18	Joback Calculated Property
Cp,gas	776.00	J/mol×K	998.76	Joback Calculated Property
Cp,gas	782.04	J/mol×K	1031.35	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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