Chemical Properties of «alpha»-Bromo-«gamma»-valerolactone (CAS 25966-39-6)

InChI

InChI=1S/C5H7BrO2/c1-3-2-4(6)5(7)8-3/h3-4H,2H2,1H3

InChI Key

FLOKBGAYTGLYGR-UHFFFAOYSA-N

Formula

C5H7BrO2

SMILES

CC1CC(Br)C(=O)O1

Molecular Weight¹

179.01

CAS

25966-39-6

Other Names

• 2(3H)-Furanone, 3-bromodihydro-5-methyl-
• 3-Bromo-5-methyldihydro-2(3H)-furanone
• Alpha-bromo-gamma-valerolactone,c&t
• NSC 91486
• Valeric acid, 2-bromo-4-hydroxy-, «gamma»-lactone
• alpha-Bromo-gamma-valerolactone
• alpha-bromo-«gamma»-valerolactone

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.70; 280.86]	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			-1.23600e+01
Coefficient B			5.86620e-01
Coefficient C			-3.89800e-04
Coefficient D			9.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.70	J/mol×K	273.00	Calculated Property
Cp,gas	150.65	J/mol×K	353.78	Calculated Property
Cp,gas	176.86	J/mol×K	434.56	Calculated Property
Cp,gas	199.62	J/mol×K	515.33	Calculated Property
Cp,gas	219.24	J/mol×K	596.11	Calculated Property
Cp,gas	236.02	J/mol×K	676.89	Calculated Property
Cp,gas	250.26	J/mol×K	757.67	Calculated Property
Cp,gas	262.28	J/mol×K	838.44	Calculated Property
Cp,gas	272.38	J/mol×K	919.22	Calculated Property
Cp,gas	280.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016767; 0.0005468]	Pa×s	[261.94; 454.76]	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			-9.03354e+00
Coefficient B			6.92210e+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.			261.94
Temperature range, max.			454.76
η	0.0016767	Pa×s	261.94	Calculated Property
η	0.0013731	Pa×s	283.36	Calculated Property
η	0.0011564	Pa×s	304.79	Calculated Property
η	0.0009962	Pa×s	326.21	Calculated Property
η	0.0008741	Pa×s	347.64	Calculated Property
η	0.0007787	Pa×s	369.06	Calculated Property
η	0.0007025	Pa×s	390.49	Calculated Property
η	0.0006406	Pa×s	411.91	Calculated Property
η	0.0005896	Pa×s	433.33	Calculated Property
η	0.0005468	Pa×s	454.76	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Bromo-«gamma»-valerolactone.

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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