Chemical Properties of 1,6-Dibromo-2,3,5-trichlorononafluorohexane (CAS 85131-86-8)

InChI

InChI=1S/C6Br2Cl3F9/c7-5(17,18)2(10,13)1(9,12)4(15,16)3(11,14)6(8,19)20

InChI Key

RKKGNUHLABLELO-UHFFFAOYSA-N

Formula

C6Br2Cl3F9

SMILES

FC(F)(Br)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(Cl)C(F)(F)Br

Molecular Weight¹

509.21

CAS

85131-86-8

Other Names

• 1,6-Dibromo-2,3,5-trichloro-1,1,2,3,4,4,5,6,6-nonafluorohexane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.55; 430.55]	J/mol×K	[555.54; 754.83]
Cp,gas	400.55	J/mol×K	555.54	Joback Calculated Property
Cp,gas	408.17	J/mol×K	588.76	Joback Calculated Property
Cp,gas	414.56	J/mol×K	621.97	Joback Calculated Property
Cp,gas	419.85	J/mol×K	655.19	Joback Calculated Property
Cp,gas	424.18	J/mol×K	688.40	Joback Calculated Property
Cp,gas	427.71	J/mol×K	721.62	Joback Calculated Property
Cp,gas	430.55	J/mol×K	754.83	Joback Calculated Property
Cp,liquid	[416.30; 424.60]	J/mol×K	[290.00; 320.00]
Cp,liquid	416.30	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	418.50	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	418.60	J/mol×K	298.16	NIST
Cp,liquid	419.10	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	421.80	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	424.60	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

Similar Compounds

Find more compounds similar to 1,6-Dibromo-2,3,5-trichlorononafluorohexane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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