Chemical Properties of Acetic acid, bromo, 1,1-dimethylpropyl ester

InChI

InChI=1S/C7H13BrO2/c1-4-7(2,3)10-6(9)5-8/h4-5H2,1-3H3

InChI Key

GNEJWGLFBZOLAE-UHFFFAOYSA-N

Formula

C7H13BrO2

SMILES

CCC(C)(C)OC(=O)CBr

Molecular Weight¹

209.08

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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, 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	[182.84; 399.11]	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			5.65200e+00
Coefficient B			7.78060e-01
Coefficient C			-5.05600e-04
Coefficient D			1.21000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.84	J/mol×K	273.00	Calculated Property
Cp,gas	222.99	J/mol×K	353.78	Calculated Property
Cp,gas	258.21	J/mol×K	434.56	Calculated Property
Cp,gas	288.90	J/mol×K	515.33	Calculated Property
Cp,gas	315.43	J/mol×K	596.11	Calculated Property
Cp,gas	338.18	J/mol×K	676.89	Calculated Property
Cp,gas	357.55	J/mol×K	757.67	Calculated Property
Cp,gas	373.90	J/mol×K	838.44	Calculated Property
Cp,gas	387.63	J/mol×K	919.22	Calculated Property
Cp,gas	399.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054452; 0.0002847]	Pa×s	[273.20; 477.47]	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			-1.21113e+01
Coefficient B			1.88460e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			273.20
Temperature range, max.			477.47
η	0.0054452	Pa×s	273.20	Calculated Property
η	0.0032079	Pa×s	295.90	Calculated Property
η	0.0020378	Pa×s	318.59	Calculated Property
η	0.0013751	Pa×s	341.29	Calculated Property
η	0.0009745	Pa×s	363.98	Calculated Property
η	0.0007191	Pa×s	386.68	Calculated Property
η	0.0005488	Pa×s	409.38	Calculated Property
η	0.0004310	Pa×s	432.07	Calculated Property
η	0.0003467	Pa×s	454.77	Calculated Property
η	0.0002847	Pa×s	477.47	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, bromo, 1,1-dimethylpropyl ester.

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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