Chemical Properties of Diethylmalonic acid, 2-methylhex-3-yl 4-methylpent-2-yl ester

InChI

InChI=1S/C20H38O4/c1-9-12-17(15(6)7)24-19(22)20(10-2,11-3)18(21)23-16(8)13-14(4)5/h14-17H,9-13H2,1-8H3

InChI Key

GTSUQJDCGCXONL-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)OC(C)CC(C)C)C(C)C

Molecular Weight¹

342.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[459.71; 1070.98]	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			4.32500e+00
Coefficient B			1.94376e+00
Coefficient C			-1.05960e-03
Coefficient D			1.82500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	459.71	J/mol×K	273.00	Calculated Property
Cp,gas	567.45	J/mol×K	353.78	Calculated Property
Cp,gas	663.88	J/mol×K	434.56	Calculated Property
Cp,gas	749.59	J/mol×K	515.33	Calculated Property
Cp,gas	825.15	J/mol×K	596.11	Calculated Property
Cp,gas	891.15	J/mol×K	676.89	Calculated Property
Cp,gas	948.15	J/mol×K	757.67	Calculated Property
Cp,gas	996.74	J/mol×K	838.44	Calculated Property
Cp,gas	1037.49	J/mol×K	919.22	Calculated Property
Cp,gas	1070.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057550; 0.0000476]	Pa×s	[342.24; 668.04]	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			-1.49897e+01
Coefficient B			3.36490e+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.			342.24
Temperature range, max.			668.04
η	0.0057550	Pa×s	342.24	Calculated Property
η	0.0022470	Pa×s	378.44	Calculated Property
η	0.0010339	Pa×s	414.64	Calculated Property
η	0.0005389	Pa×s	450.84	Calculated Property
η	0.0003094	Pa×s	487.04	Calculated Property
η	0.0001919	Pa×s	523.24	Calculated Property
η	0.0001265	Pa×s	559.44	Calculated Property
η	0.0000878	Pa×s	595.64	Calculated Property
η	0.0000635	Pa×s	631.84	Calculated Property
η	0.0000476	Pa×s	668.04	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl 4-methylpent-2-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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