Chemical Properties of 2-Bromomethyl-2,3-dihydrobenzofuran

InChI

InChI=1S/C9H9BrO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8H,5-6H2

InChI Key

QYFBYHXEEODTMX-UHFFFAOYSA-N

Formula

C9H9BrO

SMILES

BrCC1Cc2ccccc2O1

Molecular Weight¹

213.07

• 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	[149.60; 370.41]	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			-4.96290e+01
Coefficient B			9.06500e-01
Coefficient C			-7.07660e-04
Coefficient D			2.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.60	J/mol×K	273.00	Calculated Property
Cp,gas	192.30	J/mol×K	353.78	Calculated Property
Cp,gas	228.81	J/mol×K	434.56	Calculated Property
Cp,gas	259.86	J/mol×K	515.33	Calculated Property
Cp,gas	286.14	J/mol×K	596.11	Calculated Property
Cp,gas	308.34	J/mol×K	676.89	Calculated Property
Cp,gas	327.17	J/mol×K	757.67	Calculated Property
Cp,gas	343.32	J/mol×K	838.44	Calculated Property
Cp,gas	357.50	J/mol×K	919.22	Calculated Property
Cp,gas	370.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021015; 0.0005652]	Pa×s	[334.44; 545.26]	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			-9.56136e+00
Coefficient B			1.13585e+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.			334.44
Temperature range, max.			545.26
η	0.0021015	Pa×s	334.44	Calculated Property
η	0.0016826	Pa×s	357.86	Calculated Property
η	0.0013845	Pa×s	381.29	Calculated Property
η	0.0011653	Pa×s	404.71	Calculated Property
η	0.0009994	Pa×s	428.14	Calculated Property
η	0.0008709	Pa×s	451.56	Calculated Property
η	0.0007693	Pa×s	474.99	Calculated Property
η	0.0006875	Pa×s	498.41	Calculated Property
η	0.0006207	Pa×s	521.84	Calculated Property
η	0.0005652	Pa×s	545.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromomethyl-2,3-dihydrobenzofuran.

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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