Chemical Properties of 1,2-Dibromo-1,1-dichloroethane (CAS 75-81-0)

InChI

InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2

InChI Key

FIYBYNHDEOSJPL-UHFFFAOYSA-N

Formula

C2H2Br2Cl2

SMILES

ClC(Cl)(Br)CBr

Molecular Weight¹

256.75

CAS

75-81-0

Other Names

• 1,2-Dibromo-2,2-dichloroethane
• Ethane, 1,2-dibromo-1,1-dichloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-68.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.49	kJ/mol	Joback Calculated Property
ΔvapH°	46.95	kJ/mol	Relay (1.0) Calculated Property
IE	10.71	eV	Relay (1.0) Calculated Property
logPoct/wat	2.908		Crippen Calculated Property
McVol	98.520	ml/mol	McGowan Calculated Property
Inp	1072.00		NIST
Tboil	449.23	K	Relay (1.0) Calculated Property
Tfus	[206.30; 247.15]	K
Tfus	247.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	206.30 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[101.23; 158.66]	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			1.87610e+01
Coefficient B			4.09600e-01
Coefficient C			-4.40400e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	101.23	J/mol×K	273.00	Calculated Property
Cp,gas	116.11	J/mol×K	353.78	Calculated Property
Cp,gas	127.60	J/mol×K	434.56	Calculated Property
Cp,gas	136.25	J/mol×K	515.33	Calculated Property
Cp,gas	142.59	J/mol×K	596.11	Calculated Property
Cp,gas	147.17	J/mol×K	676.89	Calculated Property
Cp,gas	150.53	J/mol×K	757.67	Calculated Property
Cp,gas	153.20	J/mol×K	838.44	Calculated Property
Cp,gas	155.74	J/mol×K	919.22	Calculated Property
Cp,gas	158.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0189541; 0.0003934]	Pa×s	[226.73; 484.41]	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			-1.12499e+01
Coefficient B			1.65150e+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.			226.73
Temperature range, max.			484.41
η	0.0189541	Pa×s	226.73	Calculated Property
η	0.0083754	Pa×s	255.36	Calculated Property
η	0.0043634	Pa×s	283.99	Calculated Property
η	0.0025616	Pa×s	312.62	Calculated Property
η	0.0016445	Pa×s	341.25	Calculated Property
η	0.0011307	Pa×s	369.88	Calculated Property
η	0.0008204	Pa×s	398.51	Calculated Property
η	0.0006214	Pa×s	427.15	Calculated Property
η	0.0004874	Pa×s	455.78	Calculated Property
η	0.0003934	Pa×s	484.41	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dibromo-1,1-dichloroethane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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