Chemical Properties of 2,2,2-tribromoethane-1,1-diol (CAS 507-42-6)

InChI

InChI=1S/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H

InChI Key

NJHVMXFNIZTTBV-UHFFFAOYSA-N

Formula

C2H3Br3O2

SMILES

OC(O)C(Br)(Br)Br

Molecular Weight¹

298.76

CAS

507-42-6

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.10; 189.07]	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			1.00700e+01
Coefficient B			5.08100e-01
Coefficient C			-5.35000e-04
Coefficient D			2.05900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.10	J/mol×K	273.00	Calculated Property
Cp,gas	131.98	J/mol×K	353.78	Calculated Property
Cp,gas	146.74	J/mol×K	434.56	Calculated Property
Cp,gas	158.01	J/mol×K	515.33	Calculated Property
Cp,gas	166.46	J/mol×K	596.11	Calculated Property
Cp,gas	172.73	J/mol×K	676.89	Calculated Property
Cp,gas	177.47	J/mol×K	757.67	Calculated Property
Cp,gas	181.35	J/mol×K	838.44	Calculated Property
Cp,gas	184.99	J/mol×K	919.22	Calculated Property
Cp,gas	189.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0955199; 0.0000666]	Pa×s	[319.15; 588.23]	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			-1.82364e+01
Coefficient B			5.07064e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			319.15
Temperature range, max.			588.23
η	0.0955199	Pa×s	319.15	Calculated Property
η	0.0244950	Pa×s	349.05	Calculated Property
η	0.0077861	Pa×s	378.94	Calculated Property
η	0.0029266	Pa×s	408.84	Calculated Property
η	0.0012569	Pa×s	438.74	Calculated Property
η	0.0006013	Pa×s	468.64	Calculated Property
η	0.0003143	Pa×s	498.53	Calculated Property
η	0.0001768	Pa×s	528.43	Calculated Property
η	0.0001057	Pa×s	558.33	Calculated Property
η	0.0000666	Pa×s	588.23	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-tribromoethane-1,1-diol.

Sources

• 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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