Chemical Properties of 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl- (CAS 17587-22-3)

InChI

InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3

InChI Key

SQNZLBOJCWQLGQ-UHFFFAOYSA-N

Formula

C10H11F7O2

SMILES

CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

296.18

CAS

17587-22-3

Other Names

• 1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione
• 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
• 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione
• 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione

• ω : Acentric Factor.
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[319.50; 319.70]	K	[0.70; 0.70]
Tboilr	319.50 ± 0.50	K	0.70	NIST
Tboilr	319.70	K	0.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.02; 568.64]	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			-4.67390e+01
Coefficient B			1.48366e+00
Coefficient C			-1.28480e-03
Coefficient D			4.16520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.02	J/mol×K	273.00	Calculated Property
Cp,gas	335.79	J/mol×K	353.78	Calculated Property
Cp,gas	389.55	J/mol×K	434.56	Calculated Property
Cp,gas	433.64	J/mol×K	515.33	Calculated Property
Cp,gas	469.37	J/mol×K	596.11	Calculated Property
Cp,gas	498.04	J/mol×K	676.89	Calculated Property
Cp,gas	520.99	J/mol×K	757.67	Calculated Property
Cp,gas	539.53	J/mol×K	838.44	Calculated Property
Cp,gas	554.97	J/mol×K	919.22	Calculated Property
Cp,gas	568.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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