Chemical Properties of 2-Ethoxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C8H9F7O3/c1-2-17-3-4-18-5(16)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3

InChI Key

IYICRDHKBXCVTD-UHFFFAOYSA-N

Formula

C8H9F7O3

SMILES

CCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

286.14

Other Names

• 2-Ethoxyethanol, 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).
• IE : Ionization energy (eV).
• 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°	21.35	kJ/mol	Joback Calculated Property
ΔvapH°	53.86	kJ/mol	Relay (1.0) Calculated Property
IE	10.69	eV	Relay (1.0) Calculated Property
logPoct/wat	2.399		Crippen Calculated Property
McVol	149.280	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[844.10; 844.10]
Inp	844.10		NIST
Inp	844.10		NIST
Tboil	412.46	K	Relay (1.0) Calculated Property
Tc	530.98	K	Relay (1.0) Calculated Property
Tfus	198.71	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, 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	[259.94; 512.56]	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			1.57430e+01
Coefficient B			1.10582e+00
Coefficient C			-8.36000e-04
Coefficient D			2.27000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.94	J/mol×K	273.00	Calculated Property
Cp,gas	312.38	J/mol×K	353.78	Calculated Property
Cp,gas	357.04	J/mol×K	434.56	Calculated Property
Cp,gas	394.66	J/mol×K	515.33	Calculated Property
Cp,gas	425.95	J/mol×K	596.11	Calculated Property
Cp,gas	451.62	J/mol×K	676.89	Calculated Property
Cp,gas	472.41	J/mol×K	757.67	Calculated Property
Cp,gas	489.01	J/mol×K	838.44	Calculated Property
Cp,gas	502.16	J/mol×K	919.22	Calculated Property
Cp,gas	512.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethoxyethyl 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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