Chemical Properties of 2-Propanol, 1,3-dibromo- (CAS 96-21-9)

InChI

InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChI Key

KIHQZLPHVZKELA-UHFFFAOYSA-N

Formula

C3H6Br2O

SMILES

OC(CBr)CBr

Molecular Weight¹

217.89

CAS

96-21-9

Other Names

• «alpha»-Dibromohydrin
• «alpha»,«gamma»-Dibromohydrin
• Glycerol «alpha»,«gamma»-dibromohydrin
• Glycerol 1,3-dibromohydrin
• 1,3-Dibromo-2-hydroxypropane
• 1,3-Dibromo-2-propanol
• 1,3-Dibromohydrin
• Glycerol «alpha»,«gamma»-dibromohydrine
• 2-Hydroxy-1,3-dibromopropane
• 1,3-Dibromopropanol
• NSC 636
• 1,3-dibromopropan-2-ol

• 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).
• T_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.28; 211.45]	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			2.01520e+01
Coefficient B			4.05100e-01
Coefficient C			-3.15800e-04
Coefficient D			1.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.28	J/mol×K	273.00	Calculated Property
Cp,gas	128.46	J/mol×K	353.78	Calculated Property
Cp,gas	144.93	J/mol×K	434.56	Calculated Property
Cp,gas	159.01	J/mol×K	515.33	Calculated Property
Cp,gas	171.02	J/mol×K	596.11	Calculated Property
Cp,gas	181.30	J/mol×K	676.89	Calculated Property
Cp,gas	190.16	J/mol×K	757.67	Calculated Property
Cp,gas	197.92	J/mol×K	838.44	Calculated Property
Cp,gas	204.91	J/mol×K	919.22	Calculated Property
Cp,gas	211.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0172793; 0.0002886]	Pa×s	[288.99; 485.72]	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			-1.41620e+01
Coefficient B			2.91989e+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.			288.99
Temperature range, max.			485.72
η	0.0172793	Pa×s	288.99	Calculated Property
η	0.0084911	Pa×s	310.85	Calculated Property
η	0.0045808	Pa×s	332.71	Calculated Property
η	0.0026667	Pa×s	354.57	Calculated Property
η	0.0016531	Pa×s	376.43	Calculated Property
η	0.0010800	Pa×s	398.28	Calculated Property
η	0.0007375	Pa×s	420.14	Calculated Property
η	0.0005230	Pa×s	442.00	Calculated Property
η	0.0003831	Pa×s	463.86	Calculated Property
η	0.0002886	Pa×s	485.72	Calculated Property

Similar Compounds

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

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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