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

InChI

InChI=1S/C29H48F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-24(38)20-17-18-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h26H,2-23H2,1H3

InChI Key

RJXNBVTVZREHGI-UHFFFAOYSA-N

Formula

C29H48F8O4

SMILES

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

Molecular Weight¹

612.68

• 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	-2797.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.48	kJ/mol	Joback Calculated Property
ΔvapH°	134.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.38		Relay (1.0) Calculated Property
logPoct/wat	10.066		Crippen Calculated Property
McVol	448.510	ml/mol	McGowan Calculated Property
Pc	544.12	kPa	Joback Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		NIST
Tboil	680.15	K	Relay (1.0) Calculated Property
Tc	806.97	K	Relay (1.0) Calculated Property
Tfus	320.79	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	[714.25; 1593.19]	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			9.72000e-01
Coefficient B			3.12692e+00
Coefficient C			-2.01440e-03
Coefficient D			4.79700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	714.25	J/mol×K	273.00	Calculated Property
Cp,gas	876.33	J/mol×K	353.78	Calculated Property
Cp,gas	1018.76	J/mol×K	434.56	Calculated Property
Cp,gas	1143.07	J/mol×K	515.33	Calculated Property
Cp,gas	1250.76	J/mol×K	596.11	Calculated Property
Cp,gas	1343.37	J/mol×K	676.89	Calculated Property
Cp,gas	1422.39	J/mol×K	757.67	Calculated Property
Cp,gas	1489.36	J/mol×K	838.44	Calculated Property
Cp,gas	1545.79	J/mol×K	919.22	Calculated Property
Cp,gas	1593.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, octadecyl 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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