Chemical Properties of 1,4-Dibromo-2-butanol (CAS 19398-47-1)

InChI

InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2

InChI Key

PSSRAPMBSMSACN-UHFFFAOYSA-N

Formula

C4H8Br2O

SMILES

OC(CBr)CCBr

Molecular Weight¹

231.91

CAS

19398-47-1

Other Names

• 2-Butanol, 1,4-dibromo-
• 1,4-Dibromobutan-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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[387.70; 429.50]	K	[1.70; 6.00]
Tboilr	387.70	K	1.70	NIST
Tboilr	429.50 ± 3.50	K	6.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.50; 263.04]	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			1.92430e+01
Coefficient B			5.00100e-01
Coefficient C			-3.70200e-04
Coefficient D			1.13900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.50	J/mol×K	273.00	Calculated Property
Cp,gas	154.88	J/mol×K	353.78	Calculated Property
Cp,gas	176.00	J/mol×K	434.56	Calculated Property
Cp,gas	194.24	J/mol×K	515.33	Calculated Property
Cp,gas	209.94	J/mol×K	596.11	Calculated Property
Cp,gas	223.46	J/mol×K	676.89	Calculated Property
Cp,gas	235.18	J/mol×K	757.67	Calculated Property
Cp,gas	245.44	J/mol×K	838.44	Calculated Property
Cp,gas	254.61	J/mol×K	919.22	Calculated Property
Cp,gas	263.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0141153; 0.0002565]	Pa×s	[300.26; 499.82]	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			-1.42986e+01
Coefficient B			3.01405e+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.			300.26
Temperature range, max.			499.82
η	0.0141153	Pa×s	300.26	Calculated Property
η	0.0070777	Pa×s	322.43	Calculated Property
η	0.0038786	Pa×s	344.61	Calculated Property
η	0.0022858	Pa×s	366.78	Calculated Property
η	0.0014308	Pa×s	388.95	Calculated Property
η	0.0009421	Pa×s	411.13	Calculated Property
η	0.0006474	Pa×s	433.30	Calculated Property
η	0.0004614	Pa×s	455.47	Calculated Property
η	0.0003394	Pa×s	477.65	Calculated Property
η	0.0002565	Pa×s	499.82	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dibromo-2-butanol.

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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