Chemical Properties of Diallyl malonate

InChI

InChI=1S/C9H12O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-7H2

InChI Key

AOESAXAWXYJFNC-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

C=CCOC(=O)CC(=O)OCC=C

Molecular Weight¹

184.19

• 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).
• 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 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	[209.46; 442.84]	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			3.95430e+01
Coefficient B			7.09200e-01
Coefficient C			-3.22400e-04
Coefficient D			1.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.46	J/mol×K	273.00	Calculated Property
Cp,gas	250.82	J/mol×K	353.78	Calculated Property
Cp,gas	288.20	J/mol×K	434.56	Calculated Property
Cp,gas	321.66	J/mol×K	515.33	Calculated Property
Cp,gas	351.24	J/mol×K	596.11	Calculated Property
Cp,gas	376.99	J/mol×K	676.89	Calculated Property
Cp,gas	398.98	J/mol×K	757.67	Calculated Property
Cp,gas	417.25	J/mol×K	838.44	Calculated Property
Cp,gas	431.85	J/mol×K	919.22	Calculated Property
Cp,gas	442.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043321; 0.0002291]	Pa×s	[272.33; 488.96]	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			-1.20770e+01
Coefficient B			1.80700e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			272.33
Temperature range, max.			488.96
η	0.0043321	Pa×s	272.33	Calculated Property
η	0.0025275	Pa×s	296.40	Calculated Property
η	0.0015989	Pa×s	320.47	Calculated Property
η	0.0010783	Pa×s	344.54	Calculated Property
η	0.0007656	Pa×s	368.61	Calculated Property
η	0.0005669	Pa×s	392.68	Calculated Property
η	0.0004346	Pa×s	416.75	Calculated Property
η	0.0003430	Pa×s	440.82	Calculated Property
η	0.0002774	Pa×s	464.89	Calculated Property
η	0.0002291	Pa×s	488.96	Calculated Property

Similar Compounds

Find more compounds similar to Diallyl malonate.

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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