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

InChI

InChI=1S/C27H44F8O4/c1-2-3-4-5-6-7-8-11-14-17-20-38-22(36)18-15-12-9-10-13-16-19-23(37)39-21-25(30,31)27(34,35)26(32,33)24(28)29/h24H,2-21H2,1H3

InChI Key

URRVNUBITQMNRX-UHFFFAOYSA-N

Formula

C27H44F8O4

SMILES

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

Molecular Weight¹

584.62

• 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	-2758.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.30	kJ/mol	Joback Calculated Property
ΔvapH°	126.08	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.86		Relay (1.0) Calculated Property
logPoct/wat	9.285		Crippen Calculated Property
McVol	420.330	ml/mol	McGowan Calculated Property
Pc	596.34	kPa	Joback Calculated Property
Inp	[2793.00; 2793.00]
Inp	2793.00		NIST
Inp	2793.00		NIST
Tboil	663.96	K	Relay (1.0) Calculated Property
Tc	791.45	K	Relay (1.0) Calculated Property
Tfus	317.90	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	[671.82; 1490.01]	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			2.79000e+00
Coefficient B			2.93692e+00
Coefficient C			-1.90560e-03
Coefficient D			4.55900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	671.82	J/mol×K	273.00	Calculated Property
Cp,gas	823.49	J/mol×K	353.78	Calculated Property
Cp,gas	956.61	J/mol×K	434.56	Calculated Property
Cp,gas	1072.61	J/mol×K	515.33	Calculated Property
Cp,gas	1172.94	J/mol×K	596.11	Calculated Property
Cp,gas	1259.04	J/mol×K	676.89	Calculated Property
Cp,gas	1332.36	J/mol×K	757.67	Calculated Property
Cp,gas	1394.33	J/mol×K	838.44	Calculated Property
Cp,gas	1446.40	J/mol×K	919.22	Calculated Property
Cp,gas	1490.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, dodecyl 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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