Chemical Properties of Methane, dibromodichloro- (CAS 594-18-3)

InChI

InChI=1S/CBr2Cl2/c2-1(3,4)5

InChI Key

IHUREIPXVFKEDT-UHFFFAOYSA-N

Formula

CBr2Cl2

SMILES

ClC(Cl)(Br)Br

Molecular Weight¹

242.72

CAS

594-18-3

Other Names

• CCl2Br2
• Carbon dibromide dichloride
• Dibromodichloromethane
• Dichlorodibromomethane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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

Property	Value	Unit	Source
ω	0.3274		Relay (1.0) Calculated Property
ΔfG°	-34.84	kJ/mol	Joback Calculated Property
ΔfH°gas	3.40 ± 1.50	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfusH°	9.90	kJ/mol	Joback Calculated Property
ΔvapH°	36.96	kJ/mol	Relay (1.0) Calculated Property
IE	[10.40; 10.67]	eV
IE	10.40	eV	NIST
IE	10.67 ± 0.02	eV	NIST
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.865		Crippen Calculated Property
McVol	84.430	ml/mol	McGowan Calculated Property
Pc	6599.09	kPa	Joback Calculated Property
Inp	[843.00; 845.00]
Inp	843.00		NIST
Inp	845.00		NIST
Inp	843.00		NIST
Tboil	380.93	K	Relay (1.0) Calculated Property
Tc	591.11	K	Relay (1.0) Calculated Property
Tfus	311.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.322	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[2.30; 5.40]	kJ/mol	[258.80; 294.40]
ΔfusH	5.40	kJ/mol	258.80	NIST
ΔfusH	2.31	kJ/mol	294.40	NIST
ΔfusH	2.30	kJ/mol	294.40	NIST
ΔfusS	[7.90; 21.00]	J/mol×K	[258.80; 294.40]
ΔfusS	21.00	J/mol×K	258.80	NIST
ΔfusS	7.90	J/mol×K	294.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[80.02; 107.07]	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			1.96700e+01
Coefficient B			3.14600e-01
Coefficient C			-3.86000e-04
Coefficient D			1.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	80.02	J/mol×K	273.00	Calculated Property
Cp,gas	89.69	J/mol×K	353.78	Calculated Property
Cp,gas	96.52	J/mol×K	434.56	Calculated Property
Cp,gas	101.02	J/mol×K	515.33	Calculated Property
Cp,gas	103.68	J/mol×K	596.11	Calculated Property
Cp,gas	105.01	J/mol×K	676.89	Calculated Property
Cp,gas	105.51	J/mol×K	757.67	Calculated Property
Cp,gas	105.69	J/mol×K	838.44	Calculated Property
Cp,gas	106.04	J/mol×K	919.22	Calculated Property
Cp,gas	107.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022385; 0.0004088]	Pa×s	[311.15; 471.23]	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			-1.11071e+01
Coefficient B			1.55734e+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.			311.15
Temperature range, max.			471.23
η	0.0022385	Pa×s	311.15	Calculated Property
η	0.0017077	Pa×s	328.94	Calculated Property
η	0.0013395	Pa×s	346.72	Calculated Property
η	0.0010758	Pa×s	364.51	Calculated Property
η	0.0008819	Pa×s	382.30	Calculated Property
η	0.0007358	Pa×s	400.08	Calculated Property
η	0.0006235	Pa×s	417.87	Calculated Property
η	0.0005355	Pa×s	435.66	Calculated Property
η	0.0004654	Pa×s	453.44	Calculated Property
η	0.0004088	Pa×s	471.23	Calculated Property

Similar Compounds

Find more compounds similar to Methane, dibromodichloro-.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• 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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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