Chemical Properties of Diethyl, allyl-(1-ethylpropyl) malonate (CAS 101107-08-8)

InChI

InChI=1S/C15H26O4/c1-6-11-15(12(7-2)8-3,13(16)18-9-4)14(17)19-10-5/h6,12H,1,7-11H2,2-5H3

InChI Key

NUEFNOFCCKXHOY-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

C=CCC(C(=O)OCC)(C(=O)OCC)C(CC)CC

Molecular Weight¹

270.36

CAS

101107-08-8

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 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	[344.78; 782.90]	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			1.09250e+01
Coefficient B			1.43098e+00
Coefficient C			-8.00900e-04
Coefficient D			1.41900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.78	J/mol×K	273.00	Calculated Property
Cp,gas	423.22	J/mol×K	353.78	Calculated Property
Cp,gas	493.17	J/mol×K	434.56	Calculated Property
Cp,gas	555.08	J/mol×K	515.33	Calculated Property
Cp,gas	609.41	J/mol×K	596.11	Calculated Property
Cp,gas	656.59	J/mol×K	676.89	Calculated Property
Cp,gas	697.09	J/mol×K	757.67	Calculated Property
Cp,gas	731.34	J/mol×K	838.44	Calculated Property
Cp,gas	759.79	J/mol×K	919.22	Calculated Property
Cp,gas	782.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043320; 0.0001180]	Pa×s	[329.13; 584.29]	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			-1.36922e+01
Coefficient B			2.71548e+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.			329.13
Temperature range, max.			584.29
η	0.0043320	Pa×s	329.13	Calculated Property
η	0.0022517	Pa×s	357.48	Calculated Property
η	0.0012886	Pa×s	385.83	Calculated Property
η	0.0007960	Pa×s	414.18	Calculated Property
η	0.0005230	Pa×s	442.53	Calculated Property
η	0.0003614	Pa×s	470.88	Calculated Property
η	0.0002605	Pa×s	499.23	Calculated Property
η	0.0001945	Pa×s	527.58	Calculated Property
η	0.0001496	Pa×s	555.93	Calculated Property
η	0.0001180	Pa×s	584.29	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl, allyl-(1-ethylpropyl) 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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