Chemical Properties of 1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, trans- (CAS 26563-79-1)

InChI

InChI=1S/C5H9BrO2/c1-4-3-7-5(2-6)8-4/h4-5H,2-3H2,1H3/t4-,5-/m0/s1

InChI Key

DUQGHFJLJLUFMA-WHFBIAKZSA-N

Formula

C5H9BrO2

SMILES

CC1COC(CBr)O1

Molecular Weight¹

181.03

CAS

26563-79-1

• 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	[129.30; 315.35]	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			-1.33690e+01
Coefficient B			6.16220e-01
Coefficient C			-3.63800e-04
Coefficient D			7.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.30	J/mol×K	273.00	Calculated Property
Cp,gas	162.48	J/mol×K	353.78	Calculated Property
Cp,gas	191.97	J/mol×K	434.56	Calculated Property
Cp,gas	218.02	J/mol×K	515.33	Calculated Property
Cp,gas	240.85	J/mol×K	596.11	Calculated Property
Cp,gas	260.72	J/mol×K	676.89	Calculated Property
Cp,gas	277.86	J/mol×K	757.67	Calculated Property
Cp,gas	292.52	J/mol×K	838.44	Calculated Property
Cp,gas	304.94	J/mol×K	919.22	Calculated Property
Cp,gas	315.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033152; 0.0004944]	Pa×s	[265.71; 464.08]	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			-1.01613e+01
Coefficient B			1.18297e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.71
Temperature range, max.			464.08
η	0.0033152	Pa×s	265.71	Calculated Property
η	0.0023573	Pa×s	287.75	Calculated Property
η	0.0017595	Pa×s	309.79	Calculated Property
η	0.0013653	Pa×s	331.83	Calculated Property
η	0.0010935	Pa×s	353.87	Calculated Property
η	0.0008988	Pa×s	375.91	Calculated Property
η	0.0007551	Pa×s	397.95	Calculated Property
η	0.0006460	Pa×s	419.99	Calculated Property
η	0.0005614	Pa×s	442.03	Calculated Property
η	0.0004944	Pa×s	464.08	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, trans-.

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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