Chemical Properties of Ethane, 1,1,2,2-tetrabromo- (CAS 79-27-6)

InChI

InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H

InChI Key

QXSZNDIIPUOQMB-UHFFFAOYSA-N

Formula

C2H2Br4

SMILES

BrC(Br)C(Br)Br

Molecular Weight¹

345.65

CAS

79-27-6

Other Names

• 1,1,2,2-Tetrabromaethan
• 1,1,2,2-Tetrabromoetano
• 1,1,2,2-Tetrabromoethane
• 1,1,2,2-Tetrabromoethylene
• 1,1,2,2-Tetrabroomethaan
• ACETYLENE TETRABROMIDE
• Acetylene tetrabomide
• Muthmann's liquid
• NSC 406889
• TBE
• TETRABROMOETHANE
• Tetrabromoacetylene
• s-Tetrabromoethane
• sym-Tetrabromoethane

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfG°	18.36	kJ/mol	Joback Calculated Property
ΔfH°gas	10.15	kJ/mol	Joback Calculated Property
ΔfusH°	15.03	kJ/mol	Joback Calculated Property
ΔvapH°	45.01	kJ/mol	Joback Calculated Property
log10WS	-2.72		Aq. Sol...
logPoct/wat	3.218		Crippen Calculated Property
McVol	109.040	ml/mol	McGowan Calculated Property
Pc	8000.49	kPa	Joback Calculated Property
Inp	[1206.00; 1269.00]
Inp	1226.00		NIST
Inp	1245.00		NIST
Inp	1206.00		NIST
Inp	1265.00		NIST
Inp	1269.00		NIST
Inp	1226.00		NIST
Tboil	[407.15; 516.70]	K
Tboil	407.15	K	KDB
Tboil	516.70	K	NIST
Tc	771.57	K	Joback Calculated Property
Tfus	[272.20; 273.15]	K
Tfus	273.15	K	KDB
Tfus	272.20 ± 0.60	K	NIST
Vc	0.384	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.73; 150.55]	J/mol×K	[508.92; 771.57]
Cp,gas	134.73	J/mol×K	508.92	Joback Calculated Property
Cp,gas	138.38	J/mol×K	552.69	Joback Calculated Property
Cp,gas	141.52	J/mol×K	596.47	Joback Calculated Property
Cp,gas	144.24	J/mol×K	640.24	Joback Calculated Property
Cp,gas	146.60	J/mol×K	684.02	Joback Calculated Property
Cp,gas	148.67	J/mol×K	727.79	Joback Calculated Property
Cp,gas	150.55	J/mol×K	771.57	Joback Calculated Property
Cp,liquid	165.70	J/mol×K	298.00	NIST
η	[0.0004232; 0.0030131]	Pa×s	[321.50; 508.92]
η	0.0030131	Pa×s	321.50	Joback Calculated Property
η	0.0018795	Pa×s	352.74	Joback Calculated Property
η	0.0012659	Pa×s	383.97	Joback Calculated Property
η	0.0009049	Pa×s	415.21	Joback Calculated Property
η	0.0006780	Pa×s	446.45	Joback Calculated Property
η	0.0005275	Pa×s	477.68	Joback Calculated Property
η	0.0004232	Pa×s	508.92	Joback Calculated Property
ΔvapH	56.90	kJ/mol	493.00	NIST
n0	[1.62926; 1.63535]		[293.15; 303.15]
n0	1.63535		293.15	Excess ...
n0	1.63535		293.15	Densiti...
n0	1.62926		303.15	Densiti...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[393.32; 546.23]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54484e+01
Coefficient B			-4.67772e+03
Coefficient C			-8.47790e+01
Temperature range, min.			393.32
Temperature range, max.			546.23
Pvap	1.33	kPa	393.32	Calculated Property
Pvap	2.94	kPa	410.31	Calculated Property
Pvap	6.00	kPa	427.30	Calculated Property
Pvap	11.44	kPa	444.29	Calculated Property
Pvap	20.58	kPa	461.28	Calculated Property
Pvap	35.18	kPa	478.27	Calculated Property
Pvap	57.55	kPa	495.26	Calculated Property
Pvap	90.52	kPa	512.25	Calculated Property
Pvap	137.54	kPa	529.24	Calculated Property
Pvap	202.63	kPa	546.23	Calculated Property
Pvap	[1.74e-04; 4860.33]	kPa	[273.15; 824.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.90307e+02
Coefficient B			-1.58728e+04
Coefficient C			-2.52435e+01
Coefficient D			1.02136e-05
Temperature range, min.			273.15
Temperature range, max.			824.00
Pvap	1.74e-04	kPa	273.15	Calculated Property
Pvap	0.06	kPa	334.36	Calculated Property
Pvap	2.26	kPa	395.56	Calculated Property
Pvap	22.01	kPa	456.77	Calculated Property
Pvap	102.78	kPa	517.97	Calculated Property
Pvap	310.27	kPa	579.18	Calculated Property
Pvap	722.90	kPa	640.38	Calculated Property
Pvap	1451.36	kPa	701.59	Calculated Property
Pvap	2696.24	kPa	762.79	Calculated Property
Pvap	4860.33	kPa	824.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1,2,2-tetrabromo-.

Mixtures

• Ethane, 1,1,2,2-tetrabromo- + 1-Pentanol
• Ethane, 1,1,2,2-tetrabromo- + 1-Hexanol
• Ethane, 1,1,2,2-tetrabromo- + 1-Octanol
• Ethane, 1,1,2,2-tetrabromo- + 1-Decanol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Excess molar volumes and viscosities of (1,1,2,2-tetrabromoethane + 1-alkanols) at T = (293.15 and 303.15) K
• Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrabromoethane and 1-alkanols binary mixtures
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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