Chemical Properties of Sebacic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C19H28F8O4/c1-2-3-12-30-14(28)10-8-6-4-5-7-9-11-15(29)31-13-17(22,23)19(26,27)18(24,25)16(20)21/h16H,2-13H2,1H3

InChI Key

JMPAAKLQJWIQEO-UHFFFAOYSA-N

Formula

C19H28F8O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

472.41

• 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	-2607.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.58	kJ/mol	Joback Calculated Property
ΔvapH°	96.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	6.165		Crippen Calculated Property
McVol	307.610	ml/mol	McGowan Calculated Property
Pc	903.43	kPa	Joback Calculated Property
Inp	[2073.00; 2073.00]
Inp	2073.00		NIST
Inp	2073.00		NIST
Tboil	593.48	K	Relay (1.0) Calculated Property
Tc	721.96	K	Relay (1.0) Calculated Property
Tfus	289.25	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	[502.11; 1077.28]	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			1.00620e+01
Coefficient B			2.17692e+00
Coefficient C			-1.47040e-03
Coefficient D			3.60700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	502.11	J/mol×K	273.00	Calculated Property
Cp,gas	612.15	J/mol×K	353.78	Calculated Property
Cp,gas	707.99	J/mol×K	434.56	Calculated Property
Cp,gas	790.77	J/mol×K	515.33	Calculated Property
Cp,gas	861.65	J/mol×K	596.11	Calculated Property
Cp,gas	921.76	J/mol×K	676.89	Calculated Property
Cp,gas	972.23	J/mol×K	757.67	Calculated Property
Cp,gas	1014.22	J/mol×K	838.44	Calculated Property
Cp,gas	1048.85	J/mol×K	919.22	Calculated Property
Cp,gas	1077.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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