Chemical Properties of 3-BROMOPROPIONALDEHYDE DIMETHYL ACETAL

InChI

InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3

InChI Key

ODZZAIFAQLODKN-UHFFFAOYSA-N

Formula

C5H11BrO2

SMILES

COC(CCBr)OC

Molecular Weight¹

183.05

Other Names

• 3-bromo-1,1-dimethoxypropane
• Propane, 3-bromo-1,1-dimethoxy-

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[156.03; 323.89]	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			5.58520e+01
Coefficient B			3.96540e-01
Coefficient C			-1.00800e-04
Coefficient D			-2.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.03	J/mol×K	273.00	Calculated Property
Cp,gas	182.30	J/mol×K	353.78	Calculated Property
Cp,gas	206.86	J/mol×K	434.56	Calculated Property
Cp,gas	229.64	J/mol×K	515.33	Calculated Property
Cp,gas	250.55	J/mol×K	596.11	Calculated Property
Cp,gas	269.49	J/mol×K	676.89	Calculated Property
Cp,gas	286.38	J/mol×K	757.67	Calculated Property
Cp,gas	301.14	J/mol×K	838.44	Calculated Property
Cp,gas	313.67	J/mol×K	919.22	Calculated Property
Cp,gas	323.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032665; 0.0002455]	Pa×s	[235.37; 429.43]	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			-1.14513e+01
Coefficient B			1.34802e+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.			235.37
Temperature range, max.			429.43
η	0.0032665	Pa×s	235.37	Calculated Property
η	0.0020200	Pa×s	256.93	Calculated Property
η	0.0013456	Pa×s	278.50	Calculated Property
η	0.0009503	Pa×s	300.06	Calculated Property
η	0.0007032	Pa×s	321.62	Calculated Property
η	0.0005404	Pa×s	343.18	Calculated Property
η	0.0004284	Pa×s	364.75	Calculated Property
η	0.0003485	Pa×s	386.31	Calculated Property
η	0.0002898	Pa×s	407.87	Calculated Property
η	0.0002455	Pa×s	429.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-BROMOPROPIONALDEHYDE DIMETHYL ACETAL.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.