Chemical Properties of 2-(2-BROMOETHYL)-1,3-DIOXANE

InChI

InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2

InChI Key

WMDHQEHPOVOEOG-UHFFFAOYSA-N

Formula

C6H11BrO2

SMILES

BrCCC1OCCCO1

Molecular Weight¹

195.06

Other Names

• 1,3-Dioxane, 2-(2-bromoethyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[341.70; 343.00]	K	[0.40; 0.40]
Tboilr	341.70	K	0.40	NIST
Tboilr	343.00	K	0.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.35; 362.06]	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			-2.53380e+01
Coefficient B			7.28100e-01
Coefficient C			-4.27200e-04
Coefficient D			8.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.35	J/mol×K	273.00	Calculated Property
Cp,gas	182.61	J/mol×K	353.78	Calculated Property
Cp,gas	217.49	J/mol×K	434.56	Calculated Property
Cp,gas	248.26	J/mol×K	515.33	Calculated Property
Cp,gas	275.21	J/mol×K	596.11	Calculated Property
Cp,gas	298.60	J/mol×K	676.89	Calculated Property
Cp,gas	318.70	J/mol×K	757.67	Calculated Property
Cp,gas	335.80	J/mol×K	838.44	Calculated Property
Cp,gas	350.16	J/mol×K	919.22	Calculated Property
Cp,gas	362.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057735; 0.0003824]	Pa×s	[277.70; 490.36]	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			-1.14137e+01
Coefficient B			1.73819e+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.			277.70
Temperature range, max.			490.36
η	0.0057735	Pa×s	277.70	Calculated Property
η	0.0035341	Pa×s	301.33	Calculated Property
η	0.0023234	Pa×s	324.96	Calculated Property
η	0.0016168	Pa×s	348.59	Calculated Property
η	0.0011781	Pa×s	372.21	Calculated Property
η	0.0008915	Pa×s	395.84	Calculated Property
η	0.0006961	Pa×s	419.47	Calculated Property
η	0.0005581	Pa×s	443.10	Calculated Property
η	0.0004576	Pa×s	466.73	Calculated Property
η	0.0003824	Pa×s	490.36	Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-BROMOETHYL)-1,3-DIOXANE.

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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