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

InChI

InChI=1S/C26H42F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-37-21(35)17-18-22(36)38-20-24(29,30)26(33,34)25(31,32)23(27)28/h23H,2-20H2,1H3

InChI Key

BMKXNLDUYUHVQC-UHFFFAOYSA-N

Formula

C26H42F8O4

SMILES

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

Molecular Weight¹

570.60

• 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).
• 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	-2733.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.71	kJ/mol	Joback Calculated Property
ΔvapH°	125.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.89		Relay (1.0) Calculated Property
logPoct/wat	8.895		Crippen Calculated Property
McVol	406.240	ml/mol	McGowan Calculated Property
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	655.56	K	Relay (1.0) Calculated Property
Tc	784.86	K	Relay (1.0) Calculated Property
Tfus	319.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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	[650.61; 1438.42]	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			3.69900e+00
Coefficient B			2.84192e+00
Coefficient C			-1.85120e-03
Coefficient D			4.44000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	650.61	J/mol×K	273.00	Calculated Property
Cp,gas	797.07	J/mol×K	353.78	Calculated Property
Cp,gas	925.53	J/mol×K	434.56	Calculated Property
Cp,gas	1037.38	J/mol×K	515.33	Calculated Property
Cp,gas	1134.03	J/mol×K	596.11	Calculated Property
Cp,gas	1216.88	J/mol×K	676.89	Calculated Property
Cp,gas	1287.35	J/mol×K	757.67	Calculated Property
Cp,gas	1346.82	J/mol×K	838.44	Calculated Property
Cp,gas	1396.71	J/mol×K	919.22	Calculated Property
Cp,gas	1438.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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