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

InChI

InChI=1S/C7H11Br3O2/c1-4-6(2,3)12-5(11)7(8,9)10/h4H2,1-3H3

InChI Key

YOEDAVKZAFEGPU-UHFFFAOYSA-N

Formula

C7H11Br3O2

SMILES

CCC(C)(C)OC(=O)C(Br)(Br)Br

Molecular Weight¹

366.87

• 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).
• I_np : Non-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, 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	[209.36; 418.72]	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			-2.43900e+00
Coefficient B			9.80260e-01
Coefficient C			-8.20200e-04
Coefficient D			2.61100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.36	J/mol×K	273.00	Calculated Property
Cp,gas	253.26	J/mol×K	353.78	Calculated Property
Cp,gas	290.08	J/mol×K	434.56	Calculated Property
Cp,gas	320.64	J/mol×K	515.33	Calculated Property
Cp,gas	345.76	J/mol×K	596.11	Calculated Property
Cp,gas	366.27	J/mol×K	676.89	Calculated Property
Cp,gas	382.99	J/mol×K	757.67	Calculated Property
Cp,gas	396.76	J/mol×K	838.44	Calculated Property
Cp,gas	408.39	J/mol×K	919.22	Calculated Property
Cp,gas	418.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018349; 0.0001823]	Pa×s	[395.22; 597.65]	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			-1.31190e+01
Coefficient B			2.69470e+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.			395.22
Temperature range, max.			597.65
η	0.0018349	Pa×s	395.22	Calculated Property
η	0.0012711	Pa×s	417.71	Calculated Property
η	0.0009142	Pa×s	440.20	Calculated Property
η	0.0006789	Pa×s	462.70	Calculated Property
η	0.0005183	Pa×s	485.19	Calculated Property
η	0.0004052	Pa×s	507.68	Calculated Property
η	0.0003235	Pa×s	530.17	Calculated Property
η	0.0002631	Pa×s	552.66	Calculated Property
η	0.0002174	Pa×s	575.15	Calculated Property
η	0.0001823	Pa×s	597.65	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, tribromo, 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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