Chemical Properties of 1,1,1,2-Tetrabromoethane (CAS 630-16-0)

InChI

InChI=1S/C2H2Br4/c3-1-2(4,5)6/h1H2

InChI Key

RVHSTXJKKZWWDQ-UHFFFAOYSA-N

Formula

C2H2Br4

SMILES

BrCC(Br)(Br)Br

Molecular Weight¹

345.65

CAS

630-16-0

Other Names

• Ethane, 1,1,1,2-tetrabromo-

• 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).
• P_vap : Vapor pressure (kPa).
• 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

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	[102.40; 160.26]	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			9.36100e+00
Coefficient B			4.72400e-01
Coefficient C			-5.42400e-04
Coefficient D			2.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.40	J/mol×K	273.00	Calculated Property
Cp,gas	118.38	J/mol×K	353.78	Calculated Property
Cp,gas	130.35	J/mol×K	434.56	Calculated Property
Cp,gas	138.99	J/mol×K	515.33	Calculated Property
Cp,gas	145.02	J/mol×K	596.11	Calculated Property
Cp,gas	149.12	J/mol×K	676.89	Calculated Property
Cp,gas	151.99	J/mol×K	757.67	Calculated Property
Cp,gas	154.34	J/mol×K	838.44	Calculated Property
Cp,gas	156.87	J/mol×K	919.22	Calculated Property
Cp,gas	160.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0108490; 0.0003568]	Pa×s	[273.15; 542.55]	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			-1.14006e+01
Coefficient B			1.87842e+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.			273.15
Temperature range, max.			542.55
η	0.0108490	Pa×s	273.15	Calculated Property
η	0.0055008	Pa×s	303.08	Calculated Property
η	0.0031513	Pa×s	333.02	Calculated Property
η	0.0019790	Pa×s	362.95	Calculated Property
η	0.0013341	Pa×s	392.88	Calculated Property
η	0.0009510	Pa×s	422.82	Calculated Property
η	0.0007090	Pa×s	452.75	Calculated Property
η	0.0005481	Pa×s	482.69	Calculated Property
η	0.0004367	Pa×s	512.62	Calculated Property
η	0.0003568	Pa×s	542.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[398.52; 529.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72925e+01
Coefficient B			-5.30440e+03
Coefficient C			-8.65860e+01
Temperature range, min.			398.52
Temperature range, max.			529.32
Pvap	1.33	kPa	398.52	Calculated Property
Pvap	2.84	kPa	413.05	Calculated Property
Pvap	5.68	kPa	427.59	Calculated Property
Pvap	10.73	kPa	442.12	Calculated Property
Pvap	19.28	kPa	456.65	Calculated Property
Pvap	33.13	kPa	471.19	Calculated Property
Pvap	54.75	kPa	485.72	Calculated Property
Pvap	87.32	kPa	500.25	Calculated Property
Pvap	134.94	kPa	514.79	Calculated Property
Pvap	202.65	kPa	529.32	Calculated Property
Pvap	[0.13; 100.20]	kPa	[331.00; 473.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.83307e+01
Coefficient B			-5.97999e+03
Coefficient C			-3.72520e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			331.00
Temperature range, max.			473.00
Pvap	0.13	kPa	331.00	Calculated Property
Pvap	0.37	kPa	346.78	Calculated Property
Pvap	0.95	kPa	362.56	Calculated Property
Pvap	2.22	kPa	378.33	Calculated Property
Pvap	4.82	kPa	394.11	Calculated Property
Pvap	9.81	kPa	409.89	Calculated Property
Pvap	18.82	kPa	425.67	Calculated Property
Pvap	34.32	kPa	441.44	Calculated Property
Pvap	59.84	kPa	457.22	Calculated Property
Pvap	100.20	kPa	473.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1,2-Tetrabromoethane.

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
• The Yaws Handbook of Vapor Pressure

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