Chemical Properties of 1,6-Heptadien-4-ol , heptafluorobutyrate

InChI

InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2

InChI Key

PHJAIHWJRQETNC-UHFFFAOYSA-N

Formula

C11H11F7O2

SMILES

C=CCC(CC=C)OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

308.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[288.25; 592.35]	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			-2.01480e+01
Coefficient B			1.41990e+00
Coefficient C			-1.15920e-03
Coefficient D			3.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	288.25	J/mol×K	273.00	Calculated Property
Cp,gas	352.67	J/mol×K	353.78	Calculated Property
Cp,gas	406.84	J/mol×K	434.56	Calculated Property
Cp,gas	451.87	J/mol×K	515.33	Calculated Property
Cp,gas	488.87	J/mol×K	596.11	Calculated Property
Cp,gas	518.95	J/mol×K	676.89	Calculated Property
Cp,gas	543.23	J/mol×K	757.67	Calculated Property
Cp,gas	562.81	J/mol×K	838.44	Calculated Property
Cp,gas	578.82	J/mol×K	919.22	Calculated Property
Cp,gas	592.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Heptadien-4-ol , heptafluorobutyrate.

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

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