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

C2H4Br2

SMILES

[2H]C([2H])(Br)C([2H])([2H])Br

Molecular Weight¹

191.89

CAS

22581-63-1

Other Names

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

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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

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	[0.0029906; 0.0003997]	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			-1.04191e+01
Coefficient B			1.06832e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			231.90
Temperature range, max.			411.80
η	0.0029906	Pa×s	231.90	Calculated Property
η	0.0020749	Pa×s	251.89	Calculated Property
η	0.0015190	Pa×s	271.88	Calculated Property
η	0.0011606	Pa×s	291.87	Calculated Property
η	0.0009179	Pa×s	311.86	Calculated Property
η	0.0007468	Pa×s	331.85	Calculated Property
η	0.0006219	Pa×s	351.83	Calculated Property
η	0.0005283	Pa×s	371.82	Calculated Property
η	0.0004562	Pa×s	391.81	Calculated Property
η	0.0003997	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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