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

InChI

InChI=1S/C8H9F7O4/c9-6(10,7(11,12)8(13,14)15)5(17)19-4-3-18-2-1-16/h16H,1-4H2

InChI Key

LXOBPHOXJWCRKO-UHFFFAOYSA-N

Formula

C8H9F7O4

SMILES

O=C(OCCOCCO)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

302.14

Other Names

• Diethylene glycol, mono(heptafluorobutyrate)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfusH°	25.44	kJ/mol	Joback Calculated Property
ΔvapH°	69.43	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.371		Crippen Calculated Property
McVol	155.150	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1059.10; 1059.10]
Inp	1059.10		NIST
Inp	1059.10		NIST
Tboil	468.24	K	Relay (1.0) Calculated Property
Tc	602.20	K	Relay (1.0) Calculated Property
Tfus	238.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.45; 531.23]	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			2.10340e+01
Coefficient B			1.13980e+00
Coefficient C			-8.66400e-04
Coefficient D			2.36800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.45	J/mol×K	273.00	Calculated Property
Cp,gas	326.32	J/mol×K	353.78	Calculated Property
Cp,gas	372.16	J/mol×K	434.56	Calculated Property
Cp,gas	410.73	J/mol×K	515.33	Calculated Property
Cp,gas	442.77	J/mol×K	596.11	Calculated Property
Cp,gas	469.03	J/mol×K	676.89	Calculated Property
Cp,gas	490.25	J/mol×K	757.67	Calculated Property
Cp,gas	507.20	J/mol×K	838.44	Calculated Property
Cp,gas	520.61	J/mol×K	919.22	Calculated Property
Cp,gas	531.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Hydroxyethoxy)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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