Chemical Properties of Methane, dibromo- (CAS 74-95-3)

InChI

InChI=1S/CH2Br2/c2-1-3/h1H2

InChI Key

FJBFPHVGVWTDIP-UHFFFAOYSA-N

Formula

CH2Br2

SMILES

BrCBr

Molecular Weight¹

173.84

CAS

74-95-3

Other Names

• CH2Br2
• Dibromomethane [R30B2]
• METHYL DIBROMIDE
• Methylene dibromide
• REFRIGERANT-30B2
• Rcra waste number U068
• UN 2664
• dibromomethane
• methylene bromide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• 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	0.3029		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
μ	1.90	debye	KDB
ΔfG°	-13.82	kJ/mol	Joback Calculated Property
ΔfH°gas	3.10 ± 1.20	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfusH°	8.92	kJ/mol	Joback Calculated Property
ΔvapH°	[36.97; 37.03]	kJ/mol
ΔvapH°	37.03	kJ/mol	NIST
ΔvapH°	36.97 ± 0.10	kJ/mol	NIST
ΔvapH°	37.00 ± 0.10	kJ/mol	NIST
IE	[9.78; 10.61]	eV
IE	10.41 ± 0.13	eV	NIST
IE	10.24 ± 0.02	eV	NIST
IE	10.50 ± 0.10	eV	NIST
IE	10.52 ± 0.05	eV	NIST
IE	10.49 ± 0.02	eV	NIST
IE	10.60	eV	NIST
IE	Outlier 9.78	eV	NIST
IE	10.61	eV	NIST
IE	10.61	eV	NIST
log10WS	[-1.17; -1.17]
log10WS	-1.17		Aq. Solubility Prediction
log10WS	-1.17		Estimated Solubility
logPoct/wat	1.734		Crippen Calculated Property
McVol	59.950	ml/mol	McGowan Calculated Property
Pc	[6500.00; 7100.00]	kPa
Pc	6500.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	7100.00	kPa	KDB
Inp	[653.00; 733.00]
Inp	690.00		NIST
Inp	698.00		NIST
Inp	683.00		NIST
Inp	681.70		NIST
Inp	653.00		NIST
Inp	660.00		NIST
Inp	666.00		NIST
Inp	671.00		NIST
Inp	672.20		NIST
Inp	700.00		NIST
Inp	700.00		NIST
Inp	704.00		NIST
Inp	696.00		NIST
Inp	683.00		NIST
Inp	708.00		NIST
Inp	683.00		NIST
Inp	Outlier 733.00		NIST
Inp	672.20		NIST
Inp	683.00		NIST
Ip	[1166.00; 1196.47]
Ip	1166.00		NIST
Ip	1189.98		NIST
Ip	1196.47		NIST
Ip	1175.95		NIST
Ip	1174.00		NIST
Ip	1185.00		NIST
Ip	1166.00		NIST
Tboil	[369.11; 371.40]	K
Tboil	370.00	K	KDB
Tboil	370.10	K	NIST
Tboil	369.11 ± 0.30	K	NIST
Tboil	370.35 ± 0.20	K	NIST
Tboil	370.33 ± 0.10	K	NIST
Tboil	371.40 ± 0.50	K	NIST
Tboil	369.65 ± 0.15	K	NIST
Tc	[583.00; 583.00]	K
Tc	583.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	583.00	K	KDB
Tfus	[220.40; 220.63]	K
Tfus	220.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	220.60	K	KDB
Tfus	220.53	K	Aq. Solubility Prediction
Tfus	220.45 ± 0.50	K	NIST
Tfus	220.63 ± 0.20	K	NIST
Vc	0.211	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[104.10; 127.20]	J/mol×K	[298.00; 300.00]
Cp,liquid	127.20	J/mol×K	298.00	NIST
Cp,liquid	104.10	J/mol×K	298.15	NIST
Cp,liquid	105.30	J/mol×K	300.00	NIST
ΔvapH	[32.92; 37.80]	kJ/mol	[304.50; 370.10]
ΔvapH	37.80	kJ/mol	304.50	NIST
ΔvapH	36.50	kJ/mol	323.00	NIST
ΔvapH	32.92	kJ/mol	370.10	NIST
Pvap	13.01	kPa	313.15	Isothermal Vapor-Liquid Equilibria of ethyl acetate + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or +1-bromo-2-chloroethane at T = 313.15 K
n0	1.38510		298.15	Thermodynamic and Acoustic Properties of Mixtures of Dibromomethane + Heptane
ρl	[2478.36; 2500.00]	kg/m3	[293.00; 298.15]
ρl	2500.00	kg/m3	293.00	KDB
ρl	2478.61	kg/m3	298.15	Vapour liquid equilibrium at T = 308.15 K for binary systems: Dibromomethane + n-heptane, bromotrichloromethane + n-heptane, bromotrichloromethane + dibromomethane, bromotrichloromethane + bromochloromethane and dibromomethane + bromochloromethane. Experimental data and modelling
ρl	2478.36	kg/m3	298.15	(Vapor + liquid) equilibria for the binary mixtures (1-propanol + dibromomethane, or + bromochloromethane, or + 1,2-dichloroethane or +1-bromo-2-chloroethane) at T = 313.15 K.
csound,fluid	[911.40; 961.80]	m/s	[293.15; 313.15]
csound,fluid	961.80	m/s	293.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	949.20	m/s	298.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	936.60	m/s	303.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	924.00	m/s	308.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
csound,fluid	911.40	m/s	313.15	Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
γ	[0.04; 0.04]	N/m	[293.15; 313.15]
γ	0.04	N/m	293.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	298.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	303.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	308.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
γ	0.04	N/m	313.15	The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[54.67; 89.06]	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			1.83610e+01
Coefficient B			1.75200e-01
Coefficient C			-1.73400e-04
Coefficient D			6.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	54.67	J/mol×K	273.00	Calculated Property
Cp,gas	61.69	J/mol×K	353.78	Calculated Property
Cp,gas	67.40	J/mol×K	434.56	Calculated Property
Cp,gas	72.03	J/mol×K	515.33	Calculated Property
Cp,gas	75.78	J/mol×K	596.11	Calculated Property
Cp,gas	78.87	J/mol×K	676.89	Calculated Property
Cp,gas	81.53	J/mol×K	757.67	Calculated Property
Cp,gas	83.97	J/mol×K	838.44	Calculated Property
Cp,gas	86.41	J/mol×K	919.22	Calculated Property
Cp,gas	89.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027357; 0.0003591]	Pa×s	[220.52; 408.10]	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			-1.03189e+01
Coefficient B			9.74160e+02
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.			220.52
Temperature range, max.			408.10
η	0.0027357	Pa×s	220.52	Calculated Property
η	0.0018681	Pa×s	241.36	Calculated Property
η	0.0013554	Pa×s	262.21	Calculated Property
η	0.0010310	Pa×s	283.05	Calculated Property
η	0.0008142	Pa×s	303.89	Calculated Property
η	0.0006628	Pa×s	324.73	Calculated Property
η	0.0005531	Pa×s	345.57	Calculated Property
η	0.0004712	Pa×s	366.42	Calculated Property
η	0.0004084	Pa×s	387.26	Calculated Property
η	0.0003591	Pa×s	408.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 203.39]	kPa	[271.63; 394.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46629e+01
Coefficient B			-3.27979e+03
Coefficient C			-4.34750e+01
Temperature range, min.			271.63
Temperature range, max.			394.34
Pvap	1.33	kPa	271.63	Calculated Property
Pvap	3.00	kPa	285.26	Calculated Property
Pvap	6.19	kPa	298.90	Calculated Property
Pvap	11.86	kPa	312.53	Calculated Property
Pvap	21.35	kPa	326.17	Calculated Property
Pvap	36.41	kPa	339.80	Calculated Property
Pvap	59.24	kPa	353.44	Calculated Property
Pvap	92.52	kPa	367.07	Calculated Property
Pvap	139.38	kPa	380.71	Calculated Property
Pvap	203.39	kPa	394.34	Calculated Property
Pvap	[0.02; 7020.63]	kPa	[220.60; 611.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.46965e+01
Coefficient B			-6.03095e+03
Coefficient C			-5.79321e+00
Coefficient D			3.20020e-06
Coefficient E			0.00000e+00
Temperature range, min.			220.60
Temperature range, max.			611.00
Pvap	0.02	kPa	220.60	Calculated Property
Pvap	0.80	kPa	263.98	Calculated Property
Pvap	8.96	kPa	307.36	Calculated Property
Pvap	51.76	kPa	350.73	Calculated Property
Pvap	193.84	kPa	394.11	Calculated Property
Pvap	541.78	kPa	437.49	Calculated Property
Pvap	1234.23	kPa	480.87	Calculated Property
Pvap	2428.75	kPa	524.24	Calculated Property
Pvap	4295.39	kPa	567.62	Calculated Property
Pvap	7020.63	kPa	611.00	Calculated Property
Pvap	[0.13; 101.73]	kPa	[238.10; 371.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50067e+01
Coefficient B			-3.56002e+03
Coefficient C			-2.89770e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			238.10
Temperature range, max.			371.80
Pvap	0.13	kPa	238.10	Calculated Property
Pvap	0.41	kPa	252.96	Calculated Property
Pvap	1.11	kPa	267.81	Calculated Property
Pvap	2.65	kPa	282.67	Calculated Property
Pvap	5.75	kPa	297.52	Calculated Property
Pvap	11.53	kPa	312.38	Calculated Property
Pvap	21.56	kPa	327.23	Calculated Property
Pvap	37.98	kPa	342.09	Calculated Property
Pvap	63.56	kPa	356.94	Calculated Property
Pvap	101.73	kPa	371.80	Calculated Property

Similar Compounds

Find more compounds similar to Methane, dibromo-.

Mixtures

• Methane, dibromo- + 1-Propanol
• Methane, dibromo- + Heptane
• Methane, dibromo- + Methane, bromotrichloro-
• Methane, dibromo- + Methane, bromochloro-
• Methane, dibromo- + Acetonitrile
• Methane, dibromo- + Furan
• Methane, dibromo- + Acetophenone
• Methane, dibromo- + Ethyl Acetate
• Methane, dibromo- + Methyl Alcohol
• Methane, dibromo- + Benzene
• Methane, dibromo- + Dimethyl Sulfoxide
• Methane, dibromo- + 2-Pyrrolidinone
• Methane, dibromo- + Water
• Methane, dibromo- + Acetone
• Methane, dibromo- + 1,4-Dioxane
• Methane, dibromo- + Ethyl ether
• Methane, dibromo- + 2-Butanone
• Methane, dibromo- + Tetrahydrofuran
• Methane, dibromo- + Pyridine

Sources

• KDB Vapor Pressure Data
• 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).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Temperature and Pressure Dependence of the Volumetric Properties of Binary Liquid Mixtures Containing Dihaloalkanes
• Thermodynamic and Acoustic Properties of Mixtures of Dibromomethane + Heptane
• Vapour liquid equilibrium at T = 308.15 K for binary systems: Dibromomethane + n-heptane, bromotrichloromethane + n-heptane, bromotrichloromethane + dibromomethane, bromotrichloromethane + bromochloromethane and dibromomethane + bromochloromethane. Experimental data and modelling
• (Vapor + liquid) equilibria for the binary mixtures (1-propanol + dibromomethane, or + bromochloromethane, or + 1,2-dichloroethane or +1-bromo-2-chloroethane) at T = 313.15 K.
• The additivity of surface and volumetric properties of alpha,omega-dihalogenoalkanes
• EXCESS MOLAR ENTHALPIES OF DIBROMOMETHANE WITH ACETONITRILE,FURAN AND ACETOPHENONE 303.15 K
• Isothermal Vapor-Liquid Equilibria of ethyl acetate + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or +1-bromo-2-chloroethane at T = 313.15 K
• Excess Molar Volumes and Speed of Sound in Bromotrichloromethane + n-Heptane, Dibromomethane + n-Heptane, Bromotrichloromethane + Dibromomethane, and Bromotrichloromethane + Bromochloromethane at Temperatures from (293.15 to 313.15) K
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Excess Enthalpies of Dibromomethane with Acetone, 1,4-Dioxane, Pyridine, Diethyl Ether, Ethyl Methyl Ketone, and Tetrahydrofuran at 303.15 K
• Excess Molar Enthalpies of Dibromomethane with Benzene, Methanol, Dimethylsulfoxide, and Pyrrolidin-2-one at 303.15 K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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