Chemical Properties of 1,2-dibromo-[1,1,2,2-2H4]ethane (CAS 22581-63-1)

InChI

InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D2,2D2

InChI Key

PAAZPARNPHGIKF-LNLMKGTHSA-N

Formula

C2D4Br2

SMILES

BrCCBr

Molecular Weight¹

191.89

CAS

22581-63-1

Other Names

• 1,2-Dibromoethane-1,1,2,2-d4
• 1,2-Dibromoethane-d4

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[147.00; 149.12]	J/mol×K	[290.00; 310.00]
Cp,liquid	147.00	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	147.50	J/mol×K	293.00	NIST
Cp,liquid	148.00	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	148.00	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	149.00	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	149.12	J/mol×K	310.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[75.88; 140.65]	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			1.74520e+01
Coefficient B			2.70200e-01
Coefficient C			-2.27800e-04
Coefficient D			8.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	75.88	J/mol×K	273.00	Calculated Property
Cp,gas	88.11	J/mol×K	353.78	Calculated Property
Cp,gas	98.48	J/mol×K	434.56	Calculated Property
Cp,gas	107.26	J/mol×K	515.33	Calculated Property
Cp,gas	114.69	J/mol×K	596.11	Calculated Property
Cp,gas	121.03	J/mol×K	676.89	Calculated Property
Cp,gas	126.55	J/mol×K	757.67	Calculated Property
Cp,gas	131.48	J/mol×K	838.44	Calculated Property
Cp,gas	136.10	J/mol×K	919.22	Calculated Property
Cp,gas	140.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029279; 0.0003913]	Pa×s	[231.90; 411.80]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.04403e+01
Coefficient B			1.06832e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			231.90
Temperature range, max.			411.80
η	0.0029279	Pa×s	231.90	Calculated Property
η	0.0020313	Pa×s	251.89	Calculated Property
η	0.0014872	Pa×s	271.88	Calculated Property
η	0.0011363	Pa×s	291.87	Calculated Property
η	0.0008987	Pa×s	311.86	Calculated Property
η	0.0007311	Pa×s	331.85	Calculated Property
η	0.0006089	Pa×s	351.83	Calculated Property
η	0.0005172	Pa×s	371.82	Calculated Property
η	0.0004467	Pa×s	391.81	Calculated Property
η	0.0003913	Pa×s	411.80	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-dibromo-[1,1,2,2-2H4]ethane.

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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