Chemical Properties of Nonadecyl trifluoroacetate

InChI

InChI=1S/C21H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20(25)21(22,23)24/h2-19H2,1H3

InChI Key

WEKMLKHOURBVLB-UHFFFAOYSA-N

Formula

C21H39F3O2

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

380.53

Other Names

• Nonadecyl 2,2,2-trifluoroacetate
• 1-Nonadecanol, 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	0.9851		Relay (1.0) Calculated Property
ΔfH°gas	-1367.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.34	kJ/mol	Joback Calculated Property
ΔvapH°	104.59	kJ/mol	Relay (1.0) Calculated Property
IE	10.53	eV	Relay (1.0) Calculated Property
log10WS	-7.57		Relay (1.0) Calculated Property
logPoct/wat	7.744		Crippen Calculated Property
McVol	319.500	ml/mol	McGowan Calculated Property
Pc	893.73	kPa	Joback Calculated Property
Inp	[2100.40; 2100.40]
Inp	2100.40		NIST
Inp	2100.40		NIST
Tboil	585.00	K	Relay (1.0) Calculated Property
Tc	720.02	K	Relay (1.0) Calculated Property
Tfus	295.87	K	Relay (1.0) Calculated Property
Vc	1.237	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.44; 1133.53]	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			3.00800e+00
Coefficient B			2.10522e+00
Coefficient C			-1.24500e-03
Coefficient D			2.70300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.44	J/mol×K	273.00	Calculated Property
Cp,gas	603.93	J/mol×K	353.78	Calculated Property
Cp,gas	704.92	J/mol×K	434.56	Calculated Property
Cp,gas	794.26	J/mol×K	515.33	Calculated Property
Cp,gas	872.80	J/mol×K	596.11	Calculated Property
Cp,gas	941.41	J/mol×K	676.89	Calculated Property
Cp,gas	1000.93	J/mol×K	757.67	Calculated Property
Cp,gas	1052.22	J/mol×K	838.44	Calculated Property
Cp,gas	1096.13	J/mol×K	919.22	Calculated Property
Cp,gas	1133.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Nonadecyl trifluoroacetate.

Sources

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

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