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

InChI

InChI=1S/C28H47F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-24(36)20-21-25(37)39-23-26(29,30)27(31,32)28(33,34)35/h2-23H2,1H3

InChI Key

REHPFPKNOBXOQJ-UHFFFAOYSA-N

Formula

C28H47F7O4

SMILES

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

Molecular Weight¹

580.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2629.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.33	kJ/mol	Joback Calculated Property
ΔvapH°	130.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.32		Relay (1.0) Calculated Property
logPoct/wat	9.728		Crippen Calculated Property
McVol	432.650	ml/mol	McGowan Calculated Property
Pc	579.52	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	661.19	K	Relay (1.0) Calculated Property
Tc	768.95	K	Relay (1.0) Calculated Property
Tfus	296.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.15; 1533.99]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.52800e+00
Coefficient B			3.01422e+00
Coefficient C			-1.94040e-03
Coefficient D			4.62700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	685.15	J/mol×K	273.00	Calculated Property
Cp,gas	841.47	J/mol×K	353.78	Calculated Property
Cp,gas	978.87	J/mol×K	434.56	Calculated Property
Cp,gas	1098.81	J/mol×K	515.33	Calculated Property
Cp,gas	1202.78	J/mol×K	596.11	Calculated Property
Cp,gas	1292.21	J/mol×K	676.89	Calculated Property
Cp,gas	1368.59	J/mol×K	757.67	Calculated Property
Cp,gas	1433.37	J/mol×K	838.44	Calculated Property
Cp,gas	1488.02	J/mol×K	919.22	Calculated Property
Cp,gas	1533.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, eicosyl 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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