Chemical Properties of Acetic acid, trifluoro-, dodecyl ester (CAS 6222-00-0)

InChI

InChI=1S/C14H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17/h2-12H2,1H3

InChI Key

RXTXOEGLTCFHGU-UHFFFAOYSA-N

Formula

C14H25F3O2

SMILES

CCCCCCCCCCCCOC(=O)C(F)(F)F

Molecular Weight¹

282.34

CAS

6222-00-0

Other Names

• Dodecyl trifluoroacetate
• Trifluoroacetic acid, dodecyl ester

• 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.
• I_p : 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	0.7369		Relay (1.0) Calculated Property
ΔfH°gas	-1226.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.21	kJ/mol	Joback Calculated Property
ΔvapH°	74.44	kJ/mol	Relay (1.0) Calculated Property
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	5.013		Crippen Calculated Property
McVol	220.870	ml/mol	McGowan Calculated Property
Pc	1399.59	kPa	Joback Calculated Property
Inp	[1418.00; 1439.70]
Inp	1418.00		NIST
Inp	1421.00		NIST
Inp	1432.00		NIST
Inp	1439.70		NIST
Ip	1555.00		NIST
Tboil	505.42	K	Relay (1.0) Calculated Property
Tc	634.76	K	Relay (1.0) Calculated Property
Tfus	260.78	K	Relay (1.0) Calculated Property
Vc	0.852	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	[341.95; 772.39]	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			9.37100e+00
Coefficient B			1.44022e+00
Coefficient C			-8.64200e-04
Coefficient D			1.87000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.95	J/mol×K	273.00	Calculated Property
Cp,gas	419.01	J/mol×K	353.78	Calculated Property
Cp,gas	487.38	J/mol×K	434.56	Calculated Property
Cp,gas	547.65	J/mol×K	515.33	Calculated Property
Cp,gas	600.42	J/mol×K	596.11	Calculated Property
Cp,gas	646.28	J/mol×K	676.89	Calculated Property
Cp,gas	685.81	J/mol×K	757.67	Calculated Property
Cp,gas	719.61	J/mol×K	838.44	Calculated Property
Cp,gas	748.28	J/mol×K	919.22	Calculated Property
Cp,gas	772.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, trifluoro-, dodecyl ester.

Sources

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

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