Chemical Properties of Ethane, 1-bromo-2-chloro- (CAS 107-04-0)

InChI

InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2

InChI Key

IBYHHJPAARCAIE-UHFFFAOYSA-N

Formula

C2H4BrCl

SMILES

ClCCBr

Molecular Weight¹

143.41

CAS

107-04-0

Other Names

• 1,2-Bromochloroethane
• 1,2-Chlorobromoethane
• 1-Bromo-2-chloroethane
• 1-Chloro-2-bromoethane
• 1-bromo-2-chloroethyne
• 2-Bromo-1-chloroethane
• 2-Bromoethyl chloride
• 2-Chloroethyl bromide
• CH2BrCH2Cl
• Ethylene chlorobromide
• NSC 60186
• s-Chlorobromoethane
• sym-Chlorobromoethane
• «beta»-Chloroethyl bromide
• «beta»-Chloroethyl bromide

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.3699		Relay (1.0) Calculated Property
ΔfG°	-31.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.42	kJ/mol	Joback Calculated Property
ΔvapH°	38.13 ± 0.04	kJ/mol	NIST
IE	[10.50; 10.70]	eV
IE	10.57 ± 0.05	eV	NIST
IE	10.55	eV	NIST
IE	10.52	eV	NIST
IE	10.63 ± 0.03	eV	NIST
IE	10.63	eV	NIST
IE	10.50 ± 0.10	eV	NIST
IE	10.70 ± 0.10	eV	NIST
IE	10.65 ± 0.01	eV	NIST
log10WS	[-1.32; -1.32]
log10WS	-1.32		Aq. Solubility Prediction
log10WS	-1.32		Estimated Solubility
logPoct/wat	1.620		Crippen Calculated Property
McVol	68.780	ml/mol	McGowan Calculated Property
Pc	5266.25	kPa	Joback Calculated Property
Inp	[681.00; 729.00]
Inp	716.00		NIST
Inp	723.00		NIST
Inp	708.00		NIST
Inp	681.00		NIST
Inp	688.00		NIST
Inp	693.00		NIST
Inp	698.00		NIST
Inp	729.00		NIST
Inp	704.00		NIST
Inp	725.20		NIST
I	[1174.97; 1192.67]
I	1186.26		NIST
I	1192.67		NIST
I	1174.97		NIST
I	1186.26		NIST
Tboil	385.23	K	Relay (1.0) Calculated Property
Tc	579.06	K	Relay (1.0) Calculated Property
Tfus	[198.80; 256.50]	K
Tfus	255.92	K	Aq. Solubility Prediction
Tfus	256.40	K	NIST
Tfus	256.50 ± 0.20	K	NIST
Tfus	198.80 ± 0.40	K	NIST
Vc	0.251	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[86.29; 108.82]	J/mol×K	[348.75; 545.22]
Cp,gas	86.29	J/mol×K	348.75	Joback Calculated Property
Cp,gas	90.61	J/mol×K	381.50	Joback Calculated Property
Cp,gas	94.69	J/mol×K	414.24	Joback Calculated Property
Cp,gas	98.54	J/mol×K	446.99	Joback Calculated Property
Cp,gas	102.17	J/mol×K	479.73	Joback Calculated Property
Cp,gas	105.59	J/mol×K	512.48	Joback Calculated Property
Cp,gas	108.82	J/mol×K	545.22	Joback Calculated Property
Cp,liquid	[130.10; 140.91]	J/mol×K	[285.15; 355.15]
Cp,liquid	136.31	J/mol×K	285.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.37	J/mol×K	286.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.43	J/mol×K	288.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.50	J/mol×K	289.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.56	J/mol×K	291.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.63	J/mol×K	292.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.70	J/mol×K	294.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.77	J/mol×K	295.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.84	J/mol×K	297.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.89	J/mol×K	298.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	136.92	J/mol×K	298.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	130.10	J/mol×K	300.00	NIST
Cp,liquid	136.99	J/mol×K	300.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.07	J/mol×K	301.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.15	J/mol×K	303.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.23	J/mol×K	304.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.31	J/mol×K	306.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.39	J/mol×K	307.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.48	J/mol×K	309.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.57	J/mol×K	310.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.66	J/mol×K	312.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.75	J/mol×K	313.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.84	J/mol×K	315.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	137.93	J/mol×K	316.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.03	J/mol×K	318.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.13	J/mol×K	319.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.22	J/mol×K	321.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.33	J/mol×K	322.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.43	J/mol×K	324.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.53	J/mol×K	325.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.64	J/mol×K	327.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.74	J/mol×K	328.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.85	J/mol×K	330.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	138.96	J/mol×K	331.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.07	J/mol×K	333.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.19	J/mol×K	334.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.30	J/mol×K	336.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.42	J/mol×K	337.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.54	J/mol×K	339.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.66	J/mol×K	340.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.78	J/mol×K	342.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	139.90	J/mol×K	343.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.03	J/mol×K	345.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.16	J/mol×K	346.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.29	J/mol×K	348.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.42	J/mol×K	349.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.55	J/mol×K	351.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.68	J/mol×K	352.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.82	J/mol×K	354.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	140.91	J/mol×K	355.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
η	[0.0004315; 0.0031520]	Pa×s	[202.02; 348.75]
η	0.0031520	Pa×s	202.02	Joback Calculated Property
η	0.0018920	Pa×s	226.48	Joback Calculated Property
η	0.0012545	Pa×s	250.93	Joback Calculated Property
η	0.0008948	Pa×s	275.38	Joback Calculated Property
η	0.0006744	Pa×s	299.84	Joback Calculated Property
η	0.0005304	Pa×s	324.30	Joback Calculated Property
η	0.0004315	Pa×s	348.75	Joback Calculated Property
ΔfusH	[3.10; 9.62]	kJ/mol	[182.00; 256.40]
ΔfusH	3.10	kJ/mol	182.00	NIST
ΔfusH	9.62	kJ/mol	256.40	NIST
ΔfusH	9.62	kJ/mol	256.40	NIST
ΔvapH	[36.40; 39.50]	kJ/mol	[308.00; 379.80]
ΔvapH	37.60 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	39.50	kJ/mol	311.50	NIST
ΔvapH	37.30 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	36.90 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	36.60 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	36.40 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	38.06	kJ/mol	379.80	NIST
Pvap	8.91	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
ρl	1727.01	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.
ΔfusS	[17.15; 37.53]	J/mol×K	[182.00; 256.40]
ΔfusS	17.15	J/mol×K	182.00	NIST
ΔfusS	37.53	J/mol×K	256.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.65]	kPa	[272.75; 407.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.31363e+01
Coefficient B			-2.60209e+03
Coefficient C			-7.46670e+01
Temperature range, min.			272.75
Temperature range, max.			407.21
Pvap	1.00	kPa	272.75	Calculated Property
Pvap	2.51	kPa	287.69	Calculated Property
Pvap	5.59	kPa	302.63	Calculated Property
Pvap	11.29	kPa	317.57	Calculated Property
Pvap	21.00	kPa	332.51	Calculated Property
Pvap	36.50	kPa	347.45	Calculated Property
Pvap	59.89	kPa	362.39	Calculated Property
Pvap	93.59	kPa	377.33	Calculated Property
Pvap	140.24	kPa	392.27	Calculated Property
Pvap	202.65	kPa	407.21	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1-bromo-2-chloro-.

Mixtures

• Ethyl Acetate + Ethane, 1-bromo-2-chloro-
• 1-Propanol + Ethane, 1-bromo-2-chloro-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Temperature and Pressure Dependence of the Volumetric Properties of Binary Liquid Mixtures Containing Dihaloalkanes
• (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.
• Isothermal Vapor-Liquid Equilibria of ethyl acetate + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or +1-bromo-2-chloroethane at T = 313.15 K
• Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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