Chemical Properties of 2(3H)-Furanone, 3-bromodihydro- (CAS 5061-21-2)

InChI

InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2

InChI Key

LFJJGHGXHXXDFT-UHFFFAOYSA-N

Formula

C4H5BrO2

SMILES

O=C1OCCC1Br

Molecular Weight¹

164.99

CAS

5061-21-2

Other Names

• «alpha»-Bromo-«gamma»-butyrolactone
• 2-Bromo-4-butyrolactone
• 2-Bromo-«gamma»-butyrolactone
• «alpha»-Bromobutyric acid, «gamma»-lactone
• «alpha»-Bromobutyrolactone
• 2-Bromo-4-butanolide
• 2-Bromobutyrolactone
• 3-Bromodihydro-2-furanone
• 3-Bromodihydro-2(3H)-furanone
• Butyric acid, 2-bromo-4-hydroxy-, gamma-lactone
• 3-Bromo-2-oxotetrahydrofuran
• NSC 56959

• 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	[369.50; 411.20]	K	[0.70; 0.80]
Tboilr	369.50 ± 0.50	K	0.70	NIST
Tboilr	411.20	K	0.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.22; 222.61]	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			-1.73900e+01
Coefficient B			5.18100e-01
Coefficient C			-3.90800e-04
Coefficient D			1.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.22	J/mol×K	273.00	Calculated Property
Cp,gas	121.98	J/mol×K	353.78	Calculated Property
Cp,gas	143.20	J/mol×K	434.56	Calculated Property
Cp,gas	161.24	J/mol×K	515.33	Calculated Property
Cp,gas	176.46	J/mol×K	596.11	Calculated Property
Cp,gas	189.20	J/mol×K	676.89	Calculated Property
Cp,gas	199.83	J/mol×K	757.67	Calculated Property
Cp,gas	208.71	J/mol×K	838.44	Calculated Property
Cp,gas	216.18	J/mol×K	919.22	Calculated Property
Cp,gas	222.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021824; 0.0005310]	Pa×s	[254.91; 444.09]	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			-9.44514e+00
Coefficient B			8.45740e+02
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.			254.91
Temperature range, max.			444.09
η	0.0021824	Pa×s	254.91	Calculated Property
η	0.0016950	Pa×s	275.93	Calculated Property
η	0.0013644	Pa×s	296.95	Calculated Property
η	0.0011302	Pa×s	317.97	Calculated Property
η	0.0009584	Pa×s	338.99	Calculated Property
η	0.0008285	Pa×s	360.01	Calculated Property
η	0.0007278	Pa×s	381.03	Calculated Property
η	0.0006480	Pa×s	402.05	Calculated Property
η	0.0005837	Pa×s	423.07	Calculated Property
η	0.0005310	Pa×s	444.09	Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Furanone, 3-bromodihydro-.

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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