Chemical Properties of Ethanol, 2,2,2-tribromo- (CAS 75-80-9)

InChI

InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2

InChI Key

YFDSDPIBEUFTMI-UHFFFAOYSA-N

Formula

C2H3Br3O

SMILES

OCC(Br)(Br)Br

Molecular Weight¹

282.76

CAS

75-80-9

Other Names

• «beta»-Tribromoethanol
• Avertin
• Basibrol
• Bromethol
• Ethobrom
• Ethobrome
• Narcolan
• Narcotyl
• Narkolan
• Rectanol
• Tribromoethanol
• 2,2,2-Tribromoethanol
• 2,2,2-Tribromoethyl alcohol
• «beta»-Tribromoethyl alcohol
• Tribromethanol
• Tribromoethyl alcohol
• NSC 2189

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.91; 169.86]	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			6.46100e+00
Coefficient B			4.68200e-01
Coefficient C			-5.01400e-04
Coefficient D			1.96600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	100.91	J/mol×K	273.00	Calculated Property
Cp,gas	118.05	J/mol×K	353.78	Calculated Property
Cp,gas	131.37	J/mol×K	434.56	Calculated Property
Cp,gas	141.49	J/mol×K	515.33	Calculated Property
Cp,gas	149.03	J/mol×K	596.11	Calculated Property
Cp,gas	154.62	J/mol×K	676.89	Calculated Property
Cp,gas	158.88	J/mol×K	757.67	Calculated Property
Cp,gas	162.42	J/mol×K	838.44	Calculated Property
Cp,gas	165.88	J/mol×K	919.22	Calculated Property
Cp,gas	169.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050630; 0.0002229]	Pa×s	[354.94; 533.38]	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			-1.46204e+01
Coefficient B			3.31323e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			354.94
Temperature range, max.			533.38
η	0.0050630	Pa×s	354.94	Calculated Property
η	0.0030899	Pa×s	374.77	Calculated Property
η	0.0019816	Pa×s	394.59	Calculated Property
η	0.0013260	Pa×s	414.42	Calculated Property
η	0.0009205	Pa×s	434.25	Calculated Property
η	0.0006597	Pa×s	454.07	Calculated Property
η	0.0004861	Pa×s	473.90	Calculated Property
η	0.0003671	Pa×s	493.73	Calculated Property
η	0.0002833	Pa×s	513.55	Calculated Property
η	0.0002229	Pa×s	533.38	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2,2,2-tribromo-.

Sources

• 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

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