Chemical Properties of 1,4-Dibromo-2,3-dichlorohexafluorobutane (CAS 375-42-8)

InChI

InChI=1S/C4Br2Cl2F6/c5-3(11,12)1(7,9)2(8,10)4(6,13)14

InChI Key

PFSLUJSDDNGKIZ-UHFFFAOYSA-N

Formula

C4Br2Cl2F6

SMILES

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

Molecular Weight¹

392.75

CAS

375-42-8

Other Names

• 1,4-Dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[296.20; 304.50]	J/mol×K	[290.00; 320.00]
Cp,liquid	296.20	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	298.50	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	298.50	J/mol×K	298.16	NIST
Cp,liquid	299.00	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	301.80	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	304.50	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
ΔvapH	[46.90; 47.70]	kJ/mol	[308.00; 315.00]
ΔvapH	47.70 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	46.90 ± 0.10	kJ/mol	315.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.47; 308.67]	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			-1.99300e+01
Coefficient B			1.04780e+00
Coefficient C			-1.16300e-03
Coefficient D			4.43800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.47	J/mol×K	273.00	Calculated Property
Cp,gas	224.85	J/mol×K	353.78	Calculated Property
Cp,gas	252.20	J/mol×K	434.56	Calculated Property
Cp,gas	271.92	J/mol×K	515.33	Calculated Property
Cp,gas	285.41	J/mol×K	596.11	Calculated Property
Cp,gas	294.09	J/mol×K	676.89	Calculated Property
Cp,gas	299.35	J/mol×K	757.67	Calculated Property
Cp,gas	302.60	J/mol×K	838.44	Calculated Property
Cp,gas	305.24	J/mol×K	919.22	Calculated Property
Cp,gas	308.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dibromo-2,3-dichlorohexafluorobutane.

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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