Chemical Properties of Eicosyl trifluoroacetate

InChI

InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3

InChI Key

JELHWUPDJFSSDO-UHFFFAOYSA-N

Formula

C22H41F3O2

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

394.56

Other Names

• Eicosyl 2,2,2-trifluoroacetate
• 1-Eicosanol, trifluoroacetate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0202		Relay (1.0) Calculated Property
ΔfH°gas	-1387.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.35	kJ/mol	Joback Calculated Property
ΔvapH°	107.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.56	eV	Relay (1.0) Calculated Property
log10WS	-7.87		Relay (1.0) Calculated Property
logPoct/wat	8.134		Crippen Calculated Property
McVol	333.590	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	594.28	K	Relay (1.0) Calculated Property
Tc	724.92	K	Relay (1.0) Calculated Property
Tfus	302.75	K	Relay (1.0) Calculated Property
Vc	1.290	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1054.40; 1158.99]	J/mol×K	[773.63; 947.38]
Cp,gas	1054.40	J/mol×K	773.63	Joback Calculated Property
Cp,gas	1074.22	J/mol×K	802.59	Joback Calculated Property
Cp,gas	1093.03	J/mol×K	831.55	Joback Calculated Property
Cp,gas	1110.87	J/mol×K	860.51	Joback Calculated Property
Cp,gas	1127.78	J/mol×K	889.47	Joback Calculated Property
Cp,gas	1143.81	J/mol×K	918.43	Joback Calculated Property
Cp,gas	1158.99	J/mol×K	947.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eicosyl trifluoroacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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