Chemical Properties of 2-(2-Butoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C12H17F7O4/c1-2-3-4-21-5-6-22-7-8-23-9(20)10(13,14)11(15,16)12(17,18)19/h2-8H2,1H3

InChI Key

RGLAKFJGHIKBNF-UHFFFAOYSA-N

Formula

C12H17F7O4

SMILES

CCCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

358.25

Other Names

• Diethylene glycol butyl ether, heptafluorobutyrate
• 3,6-Dioxaodec-1-yl heptafluorobutyrate

• 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	0.7387		Relay (1.0) Calculated Property
ΔfG°	-1825.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-2261.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.90	kJ/mol	Joback Calculated Property
ΔvapH°	68.72	kJ/mol	Relay (1.0) Calculated Property
IE	10.43	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	3.196		Crippen Calculated Property
McVol	211.510	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
Inp	[1248.50; 1248.50]
Inp	1248.50		NIST
Inp	1248.50		NIST
Tboil	486.95	K	Relay (1.0) Calculated Property
Tc	599.26	K	Relay (1.0) Calculated Property
Tfus	196.54	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	[360.20; 737.43]	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			3.76070e+01
Coefficient B			1.42262e+00
Coefficient C			-9.42600e-04
Coefficient D			2.19800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.20	J/mol×K	273.00	Calculated Property
Cp,gas	432.66	J/mol×K	353.78	Calculated Property
Cp,gas	495.85	J/mol×K	434.56	Calculated Property
Cp,gas	550.49	J/mol×K	515.33	Calculated Property
Cp,gas	597.25	J/mol×K	596.11	Calculated Property
Cp,gas	636.85	J/mol×K	676.89	Calculated Property
Cp,gas	669.97	J/mol×K	757.67	Calculated Property
Cp,gas	697.31	J/mol×K	838.44	Calculated Property
Cp,gas	719.56	J/mol×K	919.22	Calculated Property
Cp,gas	737.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Butoxyethoxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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