Chemical Properties of 2-Propanol, 1,1,3-tribromo- (CAS 59228-00-1)

InChI

InChI=1S/C3H5Br3O/c4-1-2(7)3(5)6/h2-3,7H,1H2

InChI Key

QDJVPMNYRGTTFU-UHFFFAOYSA-N

Formula

C3H5Br3O

SMILES

OC(CBr)C(Br)Br

Molecular Weight¹

296.78

CAS

59228-00-1

• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[122.96; 221.06]	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			2.66610e+01
Coefficient B			4.49200e-01
Coefficient C			-3.90400e-04
Coefficient D			1.35600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.96	J/mol×K	273.00	Calculated Property
Cp,gas	142.72	J/mol×K	353.78	Calculated Property
Cp,gas	159.27	J/mol×K	434.56	Calculated Property
Cp,gas	173.03	J/mol×K	515.33	Calculated Property
Cp,gas	184.43	J/mol×K	596.11	Calculated Property
Cp,gas	193.90	J/mol×K	676.89	Calculated Property
Cp,gas	201.87	J/mol×K	757.67	Calculated Property
Cp,gas	208.77	J/mol×K	838.44	Calculated Property
Cp,gas	215.02	J/mol×K	919.22	Calculated Property
Cp,gas	221.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083055; 0.0001920]	Pa×s	[333.79; 545.21]	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			-1.45050e+01
Coefficient B			3.24249e+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.			333.79
Temperature range, max.			545.21
η	0.0083055	Pa×s	333.79	Calculated Property
η	0.0043851	Pa×s	357.28	Calculated Property
η	0.0025051	Pa×s	380.77	Calculated Property
η	0.0015273	Pa×s	404.26	Calculated Property
η	0.0009831	Pa×s	427.76	Calculated Property
η	0.0006626	Pa×s	451.25	Calculated Property
η	0.0004643	Pa×s	474.74	Calculated Property
η	0.0003365	Pa×s	498.23	Calculated Property
η	0.0002510	Pa×s	521.72	Calculated Property
η	0.0001920	Pa×s	545.21	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,1,3-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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