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

InChI

InChI=1S/C30H50F8O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-41-25(39)21-18-15-12-13-16-19-22-26(40)42-24-28(33,34)30(37,38)29(35,36)27(31)32/h27H,2-24H2,1H3

InChI Key

UJWGLBYDPPCTOY-UHFFFAOYSA-N

Formula

C30H50F8O4

SMILES

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

Molecular Weight¹

626.70

• 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	-2816.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.07	kJ/mol	Joback Calculated Property
ΔvapH°	137.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.63		Relay (1.0) Calculated Property
logPoct/wat	10.456		Crippen Calculated Property
McVol	462.600	ml/mol	McGowan Calculated Property
Pc	520.54	kPa	Joback Calculated Property
Inp	[3101.00; 3101.00]
Inp	3101.00		NIST
Inp	3101.00		NIST
Tboil	686.50	K	Relay (1.0) Calculated Property
Tc	814.61	K	Relay (1.0) Calculated Property
Tfus	323.58	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	[735.46; 1644.78]	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			6.30000e-02
Coefficient B			3.22192e+00
Coefficient C			-2.06880e-03
Coefficient D			4.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	735.46	J/mol×K	273.00	Calculated Property
Cp,gas	902.75	J/mol×K	353.78	Calculated Property
Cp,gas	1049.84	J/mol×K	434.56	Calculated Property
Cp,gas	1178.30	J/mol×K	515.33	Calculated Property
Cp,gas	1289.67	J/mol×K	596.11	Calculated Property
Cp,gas	1385.53	J/mol×K	676.89	Calculated Property
Cp,gas	1467.41	J/mol×K	757.67	Calculated Property
Cp,gas	1536.88	J/mol×K	838.44	Calculated Property
Cp,gas	1595.48	J/mol×K	919.22	Calculated Property
Cp,gas	1644.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

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