Chemical Properties of 2-Butoxyethyl 2,2,3,3,3-pentafluoropropanoate

InChI

InChI=1S/C9H13F5O3/c1-2-3-4-16-5-6-17-7(15)8(10,11)9(12,13)14/h2-6H2,1H3

InChI Key

VTVWSBYCVXXAHJ-UHFFFAOYSA-N

Formula

C9H13F5O3

SMILES

CCCCOCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

264.19

Other Names

• 2-Butoxyethanol, pentafluoropropionate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5888		Relay (1.0) Calculated Property
ΔfG°	-1358.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1679.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.19	kJ/mol	Joback Calculated Property
ΔvapH°	55.92	kJ/mol	Relay (1.0) Calculated Property
IE	10.71	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	2.544		Crippen Calculated Property
McVol	159.830	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[970.40; 970.40]
Inp	970.40		NIST
Inp	970.40		NIST
Tboil	429.90	K	Relay (1.0) Calculated Property
Tc	551.79	K	Relay (1.0) Calculated Property
Tfus	200.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[266.22; 548.54]	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			2.71250e+01
Coefficient B			1.05142e+00
Coefficient C			-6.85800e-04
Coefficient D			1.55800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.22	J/mol×K	273.00	Calculated Property
Cp,gas	320.16	J/mol×K	353.78	Calculated Property
Cp,gas	367.31	J/mol×K	434.56	Calculated Property
Cp,gas	408.15	J/mol×K	515.33	Calculated Property
Cp,gas	443.19	J/mol×K	596.11	Calculated Property
Cp,gas	472.92	J/mol×K	676.89	Calculated Property
Cp,gas	497.83	J/mol×K	757.67	Calculated Property
Cp,gas	518.40	J/mol×K	838.44	Calculated Property
Cp,gas	535.15	J/mol×K	919.22	Calculated Property
Cp,gas	548.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butoxyethyl 2,2,3,3,3-pentafluoropropanoate.

Sources

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

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