Chemical Properties of Hexanedioic acid, 2-methyl-5-methylene-, dimethyl ester (CAS 4513-62-6)

InChI

InChI=1S/C10H16O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h8H,1,5-6H2,2-4H3

InChI Key

SUISJNPVANLQPB-UHFFFAOYSA-N

Formula

C10H16O4

SMILES

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

Molecular Weight¹

200.23

CAS

4513-62-6

Other Names

• Dimethyl ester of 2-methyl-5-methylene-1,6-hexanedioic acid
• dimethyl 2-methyl-5-methyleneadipate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	[240.32; 523.21]	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			4.02520e+01
Coefficient B			8.30060e-01
Coefficient C			-3.59400e-04
Coefficient D			1.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.32	J/mol×K	273.00	Calculated Property
Cp,gas	289.47	J/mol×K	353.78	Calculated Property
Cp,gas	334.10	J/mol×K	434.56	Calculated Property
Cp,gas	374.25	J/mol×K	515.33	Calculated Property
Cp,gas	409.95	J/mol×K	596.11	Calculated Property
Cp,gas	441.26	J/mol×K	676.89	Calculated Property
Cp,gas	468.19	J/mol×K	757.67	Calculated Property
Cp,gas	490.81	J/mol×K	838.44	Calculated Property
Cp,gas	509.13	J/mol×K	919.22	Calculated Property
Cp,gas	523.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, 2-methyl-5-methylene-, dimethyl 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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