Chemical Properties of 2-Pentoxyethyl trifluoroacetate

InChI

InChI=1S/C9H15F3O3/c1-2-3-4-5-14-6-7-15-8(13)9(10,11)12/h2-7H2,1H3

InChI Key

JFZUZMNTOZLYQH-UHFFFAOYSA-N

Formula

C9H15F3O3

SMILES

CCCCCOCCOC(=O)C(F)(F)F

Molecular Weight¹

228.21

• 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	0.5849		Relay (1.0) Calculated Property
ΔfH°gas	-1245.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.45	kJ/mol	Joback Calculated Property
ΔvapH°	56.50	kJ/mol	Relay (1.0) Calculated Property
IE	10.55	eV	Relay (1.0) Calculated Property
log10WS	-1.53		Relay (1.0) Calculated Property
logPoct/wat	2.299		Crippen Calculated Property
McVol	156.290	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[1051.40; 1051.40]
Inp	1051.40		NIST
Inp	1051.40		NIST
Tboil	450.09	K	Relay (1.0) Calculated Property
Tc	574.63	K	Relay (1.0) Calculated Property
Tfus	210.78	K	Relay (1.0) Calculated Property
Vc	0.591	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	[251.28; 532.94]	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			3.94160e+01
Coefficient B			9.02020e-01
Coefficient C			-4.81200e-04
Coefficient D			7.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.28	J/mol×K	273.00	Calculated Property
Cp,gas	301.52	J/mol×K	353.78	Calculated Property
Cp,gas	346.49	J/mol×K	434.56	Calculated Property
Cp,gas	386.41	J/mol×K	515.33	Calculated Property
Cp,gas	421.53	J/mol×K	596.11	Calculated Property
Cp,gas	452.05	J/mol×K	676.89	Calculated Property
Cp,gas	478.23	J/mol×K	757.67	Calculated Property
Cp,gas	500.28	J/mol×K	838.44	Calculated Property
Cp,gas	518.44	J/mol×K	919.22	Calculated Property
Cp,gas	532.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentoxyethyl trifluoroacetate.

Sources

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

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