Chemical Properties of Perfluoro-1,3-dimethylcyclohexane (CAS 335-27-3)

InChI

InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14

InChI Key

LOQGSOTUHASIHI-UHFFFAOYSA-N

Formula

C8F16

SMILES

FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F

Molecular Weight¹

400.06

CAS

335-27-3

Other Names

• 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane
• Cyclohexane, perfluoro-1,3-dimethyl-
• FLUTEC PP3102
• Flutec PP3
• cyclohexane, 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)-
• cyclohexane, decafluoro-1,3-bis(trifluoromethyl)-
• decafluoro-1,3-bis(trifluoromethyl)cyclohexane
• flutec PP 3
• perfluoro(1,3-dimethylcyclohexane)
• perfluoro-m-dimethylcyclohexane

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4536		Relay (1.0) Calculated Property
ΔfH°gas	-3323.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.33	kJ/mol	Joback Calculated Property
ΔvapH°	39.27	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.082		Crippen Calculated Property
McVol	141.040	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[462.00; 462.00]
Inp	462.00		NIST
Inp	462.00		NIST
Tboil	374.50 ± 0.50	K	NIST
Tc	497.55	K	Relay (1.0) Calculated Property
Tfus	228.26	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[253.09; 610.47]	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			-2.91730e+02
Coefficient B			2.94520e+00
Coefficient C			-4.01700e-03
Coefficient D			1.97400e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.09	J/mol×K	273.00	Calculated Property
Cp,gas	334.86	J/mol×K	353.78	Calculated Property
Cp,gas	391.55	J/mol×K	434.56	Calculated Property
Cp,gas	429.40	J/mol×K	515.33	Calculated Property
Cp,gas	454.65	J/mol×K	596.11	Calculated Property
Cp,gas	473.55	J/mol×K	676.89	Calculated Property
Cp,gas	492.34	J/mol×K	757.67	Calculated Property
Cp,gas	517.26	J/mol×K	838.44	Calculated Property
Cp,gas	554.56	J/mol×K	919.22	Calculated Property
Cp,gas	610.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Perfluoro-1,3-dimethylcyclohexane.

Mixtures

• Carbon dioxide + Perfluoro-1,3-dimethylcyclohexane
• Methane + Perfluoro-1,3-dimethylcyclohexane
• Propane + Perfluoro-1,3-dimethylcyclohexane
• Decane + Perfluoro-1,3-dimethylcyclohexane
• n-Hexane + Methane + Perfluoro-1,3-dimethylcyclohexane
• Methane + Decane + Perfluoro-1,3-dimethylcyclohexane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental data on binary and ternary mixtures of perfluoro-1,3-dimethylcyclohexane with normal alkanes at 373.15 K
• Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
• 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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