Chemical Properties of Acetic acid, dibromo, 1,2-dimethylpropyl ester

InChI

InChI=1S/C7H12Br2O2/c1-4(2)5(3)11-7(10)6(8)9/h4-6H,1-3H3

InChI Key

CEXIVSAQDYUXAN-UHFFFAOYSA-N

Formula

C7H12Br2O2

SMILES

CC(C)C(C)OC(=O)C(Br)Br

Molecular Weight¹

287.98

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[197.35; 408.33]	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			3.32700e+01
Coefficient B			7.08160e-01
Coefficient C			-4.14800e-04
Coefficient D			8.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.35	J/mol×K	273.00	Calculated Property
Cp,gas	235.50	J/mol×K	353.78	Calculated Property
Cp,gas	269.38	J/mol×K	434.56	Calculated Property
Cp,gas	299.23	J/mol×K	515.33	Calculated Property
Cp,gas	325.32	J/mol×K	596.11	Calculated Property
Cp,gas	347.90	J/mol×K	676.89	Calculated Property
Cp,gas	367.23	J/mol×K	757.67	Calculated Property
Cp,gas	383.58	J/mol×K	838.44	Calculated Property
Cp,gas	397.19	J/mol×K	919.22	Calculated Property
Cp,gas	408.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065670; 0.0002322]	Pa×s	[285.58; 536.14]	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			-1.21771e+01
Coefficient B			2.04230e+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.			285.58
Temperature range, max.			536.14
η	0.0065670	Pa×s	285.58	Calculated Property
η	0.0034792	Pa×s	313.42	Calculated Property
η	0.0020446	Pa×s	341.26	Calculated Property
η	0.0013019	Pa×s	369.10	Calculated Property
η	0.0008831	Pa×s	396.94	Calculated Property
η	0.0006304	Pa×s	424.78	Calculated Property
η	0.0004690	Pa×s	452.62	Calculated Property
η	0.0003611	Pa×s	480.46	Calculated Property
η	0.0002861	Pa×s	508.30	Calculated Property
η	0.0002322	Pa×s	536.14	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, dibromo, 1,2-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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