Chemical Properties of Alpha-(2-bromoethyl)-gamma-hydroxy butyric acid lactone

InChI

InChI=1S/C6H9BrO2/c7-3-1-5-2-4-9-6(5)8/h5H,1-4H2

InChI Key

IGLXGNWTGHUHHI-UHFFFAOYSA-N

Formula

C6H9BrO2

SMILES

O=C1OCCC1CCBr

Molecular Weight¹

193.04

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.65; 325.79]	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			-1.92080e+01
Coefficient B			7.08100e-01
Coefficient C			-4.99600e-04
Coefficient D			1.36500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.65	J/mol×K	273.00	Calculated Property
Cp,gas	174.82	J/mol×K	353.78	Calculated Property
Cp,gas	205.36	J/mol×K	434.56	Calculated Property
Cp,gas	231.70	J/mol×K	515.33	Calculated Property
Cp,gas	254.28	J/mol×K	596.11	Calculated Property
Cp,gas	273.52	J/mol×K	676.89	Calculated Property
Cp,gas	289.87	J/mol×K	757.67	Calculated Property
Cp,gas	303.74	J/mol×K	838.44	Calculated Property
Cp,gas	315.57	J/mol×K	919.22	Calculated Property
Cp,gas	325.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025823; 0.0005548]	Pa×s	[277.45; 472.36]	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			-9.68610e+00
Coefficient B			1.03406e+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.			277.45
Temperature range, max.			472.36
η	0.0025823	Pa×s	277.45	Calculated Property
η	0.0019715	Pa×s	299.11	Calculated Property
η	0.0015611	Pa×s	320.76	Calculated Property
η	0.0012732	Pa×s	342.42	Calculated Property
η	0.0010638	Pa×s	364.08	Calculated Property
η	0.0009070	Pa×s	385.73	Calculated Property
η	0.0007865	Pa×s	407.39	Calculated Property
η	0.0006920	Pa×s	429.05	Calculated Property
η	0.0006163	Pa×s	450.71	Calculated Property
η	0.0005548	Pa×s	472.36	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-(2-bromoethyl)-gamma-hydroxy butyric acid lactone.

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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