Chemical Properties of Ethane, 2-bromo-1,1-dimethoxy- (CAS 7252-83-7)

InChI

InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3

InChI Key

FUSFWUFSEJXMRQ-UHFFFAOYSA-N

Formula

C4H9BrO2

SMILES

COC(CBr)OC

Molecular Weight¹

169.02

CAS

7252-83-7

Other Names

• Acetaldehyde, bromo-, dimethyl acetal
• Bromoacetal
• Bromoacetaldehyde dimethyl acetal
• 2,2-Dimethoxybromoethane
• Dimethylbromoacetal
• 1-Bromo-2,2-dimethoxyethane
• 2-Bromo-1,1-dimethoxyethane
• 2-Bromoacetaldehyde dimethyl acetal
• 2,2-Dimethoxyethyl bromide

• 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_boil : Normal Boiling Point Temperature (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, 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	[134.82; 272.30]	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			5.67610e+01
Coefficient B			3.01540e-01
Coefficient C			-4.64000e-05
Coefficient D			-3.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.82	J/mol×K	273.00	Calculated Property
Cp,gas	155.88	J/mol×K	353.78	Calculated Property
Cp,gas	175.79	J/mol×K	434.56	Calculated Property
Cp,gas	194.41	J/mol×K	515.33	Calculated Property
Cp,gas	211.64	J/mol×K	596.11	Calculated Property
Cp,gas	227.33	J/mol×K	676.89	Calculated Property
Cp,gas	241.37	J/mol×K	757.67	Calculated Property
Cp,gas	253.63	J/mol×K	838.44	Calculated Property
Cp,gas	263.98	J/mol×K	919.22	Calculated Property
Cp,gas	272.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032247; 0.0002468]	Pa×s	[224.10; 414.50]	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			-1.13320e+01
Coefficient B			1.25386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.10
Temperature range, max.			414.50
η	0.0032247	Pa×s	224.10	Calculated Property
η	0.0019902	Pa×s	245.26	Calculated Property
η	0.0013261	Pa×s	266.41	Calculated Property
η	0.0009380	Pa×s	287.57	Calculated Property
η	0.0006957	Pa×s	308.72	Calculated Property
η	0.0005362	Pa×s	329.88	Calculated Property
η	0.0004264	Pa×s	351.03	Calculated Property
η	0.0003481	Pa×s	372.19	Calculated Property
η	0.0002904	Pa×s	393.35	Calculated Property
η	0.0002468	Pa×s	414.50	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 2-bromo-1,1-dimethoxy-.

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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