Chemical Properties of 1-Bromo-2,2-dimethoxypropane (CAS 126-38-5)

InChI

InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3

InChI Key

SGTITUFGCGGICE-UHFFFAOYSA-N

Formula

C5H11BrO2

SMILES

COC(C)(CBr)OC

Molecular Weight¹

183.04

CAS

126-38-5

Other Names

• Propane, 1-bromo-2,2-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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[154.89; 324.82]	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			3.30610e+01
Coefficient B			5.16460e-01
Coefficient C			-2.69400e-04
Coefficient D			4.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.89	J/mol×K	273.00	Calculated Property
Cp,gas	184.03	J/mol×K	353.78	Calculated Property
Cp,gas	210.29	J/mol×K	434.56	Calculated Property
Cp,gas	233.78	J/mol×K	515.33	Calculated Property
Cp,gas	254.67	J/mol×K	596.11	Calculated Property
Cp,gas	273.08	J/mol×K	676.89	Calculated Property
Cp,gas	289.16	J/mol×K	757.67	Calculated Property
Cp,gas	303.05	J/mol×K	838.44	Calculated Property
Cp,gas	314.89	J/mol×K	919.22	Calculated Property
Cp,gas	324.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032903; 0.0002558]	Pa×s	[252.79; 433.15]	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			-1.18513e+01
Coefficient B			1.55074e+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.			252.79
Temperature range, max.			433.15
η	0.0032903	Pa×s	252.79	Calculated Property
η	0.0020967	Pa×s	272.83	Calculated Property
η	0.0014211	Pa×s	292.87	Calculated Property
η	0.0010124	Pa×s	312.91	Calculated Property
η	0.0007513	Pa×s	332.95	Calculated Property
η	0.0005767	Pa×s	352.99	Calculated Property
η	0.0004555	Pa×s	373.03	Calculated Property
η	0.0003685	Pa×s	393.07	Calculated Property
η	0.0003043	Pa×s	413.11	Calculated Property
η	0.0002558	Pa×s	433.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromo-2,2-dimethoxypropane.

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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