Chemical Properties of Succinic acid, 8-bromooctyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H35BrO4/c1-4-11-17(16(2)3)24-19(22)13-12-18(21)23-15-10-8-6-5-7-9-14-20/h16-17H,4-15H2,1-3H3

InChI Key

WKMOBKFKDJEOOG-UHFFFAOYSA-N

Formula

C19H35BrO4

SMILES

CCCC(OC(=O)CCC(=O)OCCCCCCCCBr)C(C)C

Molecular Weight¹

407.39

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[454.58; 1025.92]	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			4.12620e+01
Coefficient B			1.74926e+00
Coefficient C			-8.98400e-04
Coefficient D			1.33800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	454.58	J/mol×K	273.00	Calculated Property
Cp,gas	553.59	J/mol×K	353.78	Calculated Property
Cp,gas	642.74	J/mol×K	434.56	Calculated Property
Cp,gas	722.44	J/mol×K	515.33	Calculated Property
Cp,gas	793.11	J/mol×K	596.11	Calculated Property
Cp,gas	855.19	J/mol×K	676.89	Calculated Property
Cp,gas	909.08	J/mol×K	757.67	Calculated Property
Cp,gas	955.22	J/mol×K	838.44	Calculated Property
Cp,gas	994.02	J/mol×K	919.22	Calculated Property
Cp,gas	1025.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013739; 0.0000595]	Pa×s	[418.35; 703.70]	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			-1.43332e+01
Coefficient B			3.23934e+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.			418.35
Temperature range, max.			703.70
η	0.0013739	Pa×s	418.35	Calculated Property
η	0.0007963	Pa×s	450.06	Calculated Property
η	0.0004958	Pa×s	481.76	Calculated Property
η	0.0003274	Pa×s	513.47	Calculated Property
η	0.0002268	Pa×s	545.17	Calculated Property
η	0.0001636	Pa×s	576.88	Calculated Property
η	0.0001221	Pa×s	608.58	Calculated Property
η	0.0000938	Pa×s	640.29	Calculated Property
η	0.0000739	Pa×s	671.99	Calculated Property
η	0.0000595	Pa×s	703.70	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 8-bromooctyl 2-methylhex-3-yl 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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