Chemical Properties of Ethane, 1,1,2-tribromo- (CAS 78-74-0)

InChI

InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2

InChI Key

QUMDOMSJJIFTCA-UHFFFAOYSA-N

Formula

C2H3Br3

SMILES

BrCC(Br)Br

Molecular Weight¹

266.76

CAS

78-74-0

Other Names

• 1,1,2-Tribromoethane

• ω : Acentric Factor.
• 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_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).
• 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	0.5251		Relay (1.0) Calculated Property
ΔfH°gas	-7.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.27	kJ/mol	Joback Calculated Property
ΔvapH°	51.78	kJ/mol	Relay (1.0) Calculated Property
IE	10.47	eV	Relay (1.0) Calculated Property
log10WS	-2.09		Relay (1.0) Calculated Property
logPoct/wat	2.497		Crippen Calculated Property
McVol	91.540	ml/mol	McGowan Calculated Property
Pc	7002.68	kPa	Joback Calculated Property
Tboil	462.10	K	NIST
Tc	681.91	K	Relay (1.0) Calculated Property
Tfus	[237.70; 243.90]	K
Tfus	243.90 ± 0.02	K	NIST
Tfus	237.70 ± 0.40	K	NIST
Vc	0.333	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.84; 133.90]	J/mol×K	[443.40; 681.20]
Cp,gas	113.84	J/mol×K	443.40	Joback Calculated Property
Cp,gas	118.12	J/mol×K	483.03	Joback Calculated Property
Cp,gas	121.96	J/mol×K	522.67	Joback Calculated Property
Cp,gas	125.42	J/mol×K	562.30	Joback Calculated Property
Cp,gas	128.53	J/mol×K	601.93	Joback Calculated Property
Cp,gas	131.35	J/mol×K	641.56	Joback Calculated Property
Cp,gas	133.90	J/mol×K	681.20	Joback Calculated Property
η	[0.0004981; 0.0032967]	Pa×s	[276.70; 443.40]
η	0.0032967	Pa×s	276.70	Joback Calculated Property
η	0.0020839	Pa×s	304.48	Joback Calculated Property
η	0.0014223	Pa×s	332.27	Joback Calculated Property
η	0.0010297	Pa×s	360.05	Joback Calculated Property
η	0.0007807	Pa×s	387.83	Joback Calculated Property
η	0.0006143	Pa×s	415.62	Joback Calculated Property
η	0.0004981	Pa×s	443.40	Joback Calculated Property
ΔfusH	[9.11; 9.11]	kJ/mol	[244.00; 244.00]
ΔfusH	9.11	kJ/mol	244.00	NIST
ΔfusH	9.11	kJ/mol	244.00	NIST
ΔvapH	[50.50; 52.90]	kJ/mol	[383.00; 439.50]
ΔvapH	52.90	kJ/mol	383.00	NIST
ΔvapH	50.50	kJ/mol	439.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.16; 489.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50765e+01
Coefficient B			-4.10474e+03
Coefficient C			-6.96080e+01
Temperature range, min.			347.16
Temperature range, max.			489.96
Pvap	1.33	kPa	347.16	Calculated Property
Pvap	2.97	kPa	363.03	Calculated Property
Pvap	6.08	kPa	378.89	Calculated Property
Pvap	11.62	kPa	394.76	Calculated Property
Pvap	20.90	kPa	410.63	Calculated Property
Pvap	35.69	kPa	426.49	Calculated Property
Pvap	58.24	kPa	442.36	Calculated Property
Pvap	91.30	kPa	458.23	Calculated Property
Pvap	138.16	kPa	474.09	Calculated Property
Pvap	202.65	kPa	489.96	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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