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
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
Cp,gas	[89.55; 150.26]	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			2.39610e+01
Coefficient B			3.14300e-01
Coefficient C			-3.02400e-04
Coefficient D			1.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.55	J/mol×K	273.00	Calculated Property
Cp,gas	102.37	J/mol×K	353.78	Calculated Property
Cp,gas	112.82	J/mol×K	434.56	Calculated Property
Cp,gas	121.28	J/mol×K	515.33	Calculated Property
Cp,gas	128.09	J/mol×K	596.11	Calculated Property
Cp,gas	133.63	J/mol×K	676.89	Calculated Property
Cp,gas	138.26	J/mol×K	757.67	Calculated Property
Cp,gas	142.33	J/mol×K	838.44	Calculated Property
Cp,gas	146.21	J/mol×K	919.22	Calculated Property
Cp,gas	150.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069751; 0.0003997]	Pa×s	[240.80; 476.84]	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			-1.07417e+01
Coefficient B			1.39092e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			240.80
Temperature range, max.			476.84
η	0.0069751	Pa×s	240.80	Calculated Property
η	0.0039552	Pa×s	267.03	Calculated Property
η	0.0024823	Pa×s	293.25	Calculated Property
η	0.0016817	Pa×s	319.48	Calculated Property
η	0.0012087	Pa×s	345.71	Calculated Property
η	0.0009101	Pa×s	371.93	Calculated Property
η	0.0007114	Pa×s	398.16	Calculated Property
η	0.0005733	Pa×s	424.39	Calculated Property
η	0.0004737	Pa×s	450.61	Calculated Property
η	0.0003997	Pa×s	476.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.16; 489.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
Pvap	[0.13; 100.46]	kPa	[305.80; 461.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49386e+01
Coefficient B			-4.12285e+03
Coefficient C			-6.24420e+01
Reference			Stull, 1947
Temperature range, min.			305.80
Temperature range, max.			461.60
Pvap	0.13	kPa	305.80	Calculated Property
Pvap	0.42	kPa	323.11	Calculated Property
Pvap	1.11	kPa	340.42	Calculated Property
Pvap	2.66	kPa	357.73	Calculated Property
Pvap	5.75	kPa	375.04	Calculated Property
Pvap	11.49	kPa	392.36	Calculated Property
Pvap	21.43	kPa	409.67	Calculated Property
Pvap	37.66	kPa	426.98	Calculated Property
Pvap	62.89	kPa	444.29	Calculated Property
Pvap	100.46	kPa	461.60	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.