Chemical Properties of Adipic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C31H52F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-42-26(40)22-19-20-23-27(41)43-25-29(34,35)31(38,39)30(36,37)28(32)33/h28H,2-25H2,1H3

InChI Key

JZGFGLJCQWOTIO-UHFFFAOYSA-N

Formula

C31H52F8O4

SMILES

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

Molecular Weight¹

640.74

• 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	-2835.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.66	kJ/mol	Joback Calculated Property
ΔvapH°	142.32	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.90		Relay (1.0) Calculated Property
logPoct/wat	10.846		Crippen Calculated Property
McVol	476.690	ml/mol	McGowan Calculated Property
Pc	498.47	kPa	Joback Calculated Property
Inp	[3177.00; 3177.00]
Inp	3177.00		NIST
Inp	3177.00		NIST
Tboil	694.67	K	Relay (1.0) Calculated Property
Tc	821.55	K	Relay (1.0) Calculated Property
Tfus	324.31	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	[756.68; 1696.37]	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			-8.46000e-01
Coefficient B			3.31692e+00
Coefficient C			-2.12320e-03
Coefficient D			5.03500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	756.68	J/mol×K	273.00	Calculated Property
Cp,gas	929.16	J/mol×K	353.78	Calculated Property
Cp,gas	1080.92	J/mol×K	434.56	Calculated Property
Cp,gas	1213.53	J/mol×K	515.33	Calculated Property
Cp,gas	1328.59	J/mol×K	596.11	Calculated Property
Cp,gas	1427.69	J/mol×K	676.89	Calculated Property
Cp,gas	1512.43	J/mol×K	757.67	Calculated Property
Cp,gas	1584.39	J/mol×K	838.44	Calculated Property
Cp,gas	1645.18	J/mol×K	919.22	Calculated Property
Cp,gas	1696.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, eicosyl 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.
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