Chemical Properties of Dimethyl 2,2'-dibromoadipate

InChI

InChI=1S/C8H12Br2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3

InChI Key

HVICCJCVLLCDFQ-UHFFFAOYSA-N

Formula

C8H12Br2O4

SMILES

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

Molecular Weight¹

331.99

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[235.21; 467.49]	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			5.94520e+01
Coefficient B			7.42440e-01
Coefficient C			-3.71400e-04
Coefficient D			3.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.21	J/mol×K	273.00	Calculated Property
Cp,gas	277.27	J/mol×K	353.78	Calculated Property
Cp,gas	314.99	J/mol×K	434.56	Calculated Property
Cp,gas	348.49	J/mol×K	515.33	Calculated Property
Cp,gas	377.89	J/mol×K	596.11	Calculated Property
Cp,gas	403.31	J/mol×K	676.89	Calculated Property
Cp,gas	424.86	J/mol×K	757.67	Calculated Property
Cp,gas	442.66	J/mol×K	838.44	Calculated Property
Cp,gas	456.84	J/mol×K	919.22	Calculated Property
Cp,gas	467.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029053; 0.0001759]	Pa×s	[354.18; 589.48]	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			-1.28669e+01
Coefficient B			2.48836e+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.			354.18
Temperature range, max.			589.48
η	0.0029053	Pa×s	354.18	Calculated Property
η	0.0017925	Pa×s	380.32	Calculated Property
η	0.0011768	Pa×s	406.47	Calculated Property
η	0.0008128	Pa×s	432.61	Calculated Property
η	0.0005857	Pa×s	458.76	Calculated Property
η	0.0004372	Pa×s	484.90	Calculated Property
η	0.0003362	Pa×s	511.05	Calculated Property
η	0.0002653	Pa×s	537.19	Calculated Property
η	0.0002140	Pa×s	563.33	Calculated Property
η	0.0001759	Pa×s	589.48	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2,2'-dibromoadipate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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