Chemical Properties of Ethylene glycol, chlorodifluoroacetate, pentafluoropropionate

InChI

InChI=1S/C7H4ClF7O4/c8-6(11,12)4(17)19-2-1-18-3(16)5(9,10)7(13,14)15/h1-2H2

InChI Key

QIOIGSLMAMANKA-UHFFFAOYSA-N

Formula

C7H4ClF7O4

SMILES

O=C(OCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)Cl

Molecular Weight¹

320.54

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2188.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.14	kJ/mol	Joback Calculated Property
ΔvapH°	62.70	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.102		Crippen Calculated Property
McVol	149.000	ml/mol	McGowan Calculated Property
Inp	[939.00; 939.00]
Inp	939.00		NIST
Inp	939.00		NIST
Tboil	418.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[253.07; 458.85]	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			2.94520e+01
Coefficient B			1.02600e+00
Coefficient C			-8.18400e-04
Coefficient D			2.21800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.07	J/mol×K	273.00	Calculated Property
Cp,gas	299.82	J/mol×K	353.78	Calculated Property
Cp,gas	338.96	J/mol×K	434.56	Calculated Property
Cp,gas	371.20	J/mol×K	515.33	Calculated Property
Cp,gas	397.23	J/mol×K	596.11	Calculated Property
Cp,gas	417.75	J/mol×K	676.89	Calculated Property
Cp,gas	433.48	J/mol×K	757.67	Calculated Property
Cp,gas	445.10	J/mol×K	838.44	Calculated Property
Cp,gas	453.33	J/mol×K	919.22	Calculated Property
Cp,gas	458.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethylene glycol, chlorodifluoroacetate, pentafluoropropionate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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