Chemical Properties of 2-BROMOMETHYL-1,3-DIOXOLANE

InChI

InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

InChI Key

CKIIJIDEWWXQEA-UHFFFAOYSA-N

Formula

C4H7BrO2

SMILES

BrCC1OCCO1

Molecular Weight¹

167.00

Other Names

• 1,3-Dioxolane, 2-(bromomethyl)-

• 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).
• 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, 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	[105.82; 257.10]	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			-1.83990e+01
Coefficient B			5.47700e-01
Coefficient C			-3.64800e-04
Coefficient D			9.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.82	J/mol×K	273.00	Calculated Property
Cp,gas	133.81	J/mol×K	353.78	Calculated Property
Cp,gas	158.32	J/mol×K	434.56	Calculated Property
Cp,gas	179.64	J/mol×K	515.33	Calculated Property
Cp,gas	198.08	J/mol×K	596.11	Calculated Property
Cp,gas	213.91	J/mol×K	676.89	Calculated Property
Cp,gas	227.43	J/mol×K	757.67	Calculated Property
Cp,gas	238.95	J/mol×K	838.44	Calculated Property
Cp,gas	248.74	J/mol×K	919.22	Calculated Property
Cp,gas	257.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044924; 0.0004876]	Pa×s	[258.68; 453.68]	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			-1.05720e+01
Coefficient B			1.33650e+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.			258.68
Temperature range, max.			453.68
η	0.0044924	Pa×s	258.68	Calculated Property
η	0.0030134	Pa×s	280.35	Calculated Property
η	0.0021406	Pa×s	302.01	Calculated Property
η	0.0015918	Pa×s	323.68	Calculated Property
η	0.0012285	Pa×s	345.35	Calculated Property
η	0.0009776	Pa×s	367.01	Calculated Property
η	0.0007980	Pa×s	388.68	Calculated Property
η	0.0006655	Pa×s	410.35	Calculated Property
η	0.0005652	Pa×s	432.01	Calculated Property
η	0.0004876	Pa×s	453.68	Calculated Property

Similar Compounds

Find more compounds similar to 2-BROMOMETHYL-1,3-DIOXOLANE.

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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