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

InChI

InChI=1S/C6H9Br3O2/c1-3-4(2)11-5(10)6(7,8)9/h4H,3H2,1-2H3

InChI Key

OLNZDRWZSBAEIJ-UHFFFAOYSA-N

Formula

C6H9Br3O2

SMILES

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

Molecular Weight¹

352.85

• 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.
• 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	[189.29; 366.20]	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			2.12610e+01
Coefficient B			7.65340e-01
Coefficient C			-5.97200e-04
Coefficient D			1.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.29	J/mol×K	273.00	Calculated Property
Cp,gas	225.10	J/mol×K	353.78	Calculated Property
Cp,gas	255.58	J/mol×K	434.56	Calculated Property
Cp,gas	281.26	J/mol×K	515.33	Calculated Property
Cp,gas	302.73	J/mol×K	596.11	Calculated Property
Cp,gas	320.52	J/mol×K	676.89	Calculated Property
Cp,gas	335.20	J/mol×K	757.67	Calculated Property
Cp,gas	347.34	J/mol×K	838.44	Calculated Property
Cp,gas	357.49	J/mol×K	919.22	Calculated Property
Cp,gas	366.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024369; 0.0002189]	Pa×s	[366.53; 580.26]	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			-1.25590e+01
Coefficient B			2.39782e+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.			366.53
Temperature range, max.			580.26
η	0.0024369	Pa×s	366.53	Calculated Property
η	0.0016367	Pa×s	390.28	Calculated Property
η	0.0011506	Pa×s	414.03	Calculated Property
η	0.0008404	Pa×s	437.77	Calculated Property
η	0.0006340	Pa×s	461.52	Calculated Property
η	0.0004916	Pa×s	485.27	Calculated Property
η	0.0003904	Pa×s	509.02	Calculated Property
η	0.0003165	Pa×s	532.77	Calculated Property
η	0.0002612	Pa×s	556.52	Calculated Property
η	0.0002189	Pa×s	580.26	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, tribromo, 1-methylpropyl 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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