Chemical Properties of 3-BUTEN-2-OL, 1-BROMO-

InChI

InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2,4,6H,1,3H2

InChI Key

PDAWHBQDMPNZQI-UHFFFAOYSA-N

Formula

C4H7BrO

SMILES

C=CC(O)CBr

Molecular Weight¹

151.00

Other Names

• 1-Bromo-3-buten-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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[106.70; 225.46]	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			8.06100e+00
Coefficient B			4.41900e-01
Coefficient C			-3.21700e-04
Coefficient D			9.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.70	J/mol×K	273.00	Calculated Property
Cp,gas	128.44	J/mol×K	353.78	Calculated Property
Cp,gas	147.32	J/mol×K	434.56	Calculated Property
Cp,gas	163.66	J/mol×K	515.33	Calculated Property
Cp,gas	177.76	J/mol×K	596.11	Calculated Property
Cp,gas	189.93	J/mol×K	676.89	Calculated Property
Cp,gas	200.48	J/mol×K	757.67	Calculated Property
Cp,gas	209.71	J/mol×K	838.44	Calculated Property
Cp,gas	217.94	J/mol×K	919.22	Calculated Property
Cp,gas	225.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0543785; 0.0003160]	Pa×s	[238.70; 443.06]	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			-1.40727e+01
Coefficient B			2.66411e+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.			238.70
Temperature range, max.			443.06
η	0.0543785	Pa×s	238.70	Calculated Property
η	0.0206252	Pa×s	261.41	Calculated Property
η	0.0091341	Pa×s	284.11	Calculated Property
η	0.0045634	Pa×s	306.82	Calculated Property
η	0.0025087	Pa×s	329.52	Calculated Property
η	0.0014897	Pa×s	352.23	Calculated Property
η	0.0009423	Pa×s	374.94	Calculated Property
η	0.0006280	Pa×s	397.64	Calculated Property
η	0.0004373	Pa×s	420.35	Calculated Property
η	0.0003160	Pa×s	443.06	Calculated Property

Similar Compounds

Find more compounds similar to 3-BUTEN-2-OL, 1-BROMO-.

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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