Chemical Properties of Diethylmalonic acid, di(3-methylpent-2-yl) ester

InChI

InChI=1S/C19H36O4/c1-9-13(5)15(7)22-17(20)19(11-3,12-4)18(21)23-16(8)14(6)10-2/h13-16H,9-12H2,1-8H3

InChI Key

DPIIXVCUKNWMOJ-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

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

Molecular Weight¹

328.49

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.20	kJ/mol	Joback Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	293.450	ml/mol	McGowan Calculated Property
Inp	[1791.00; 1791.00]
Inp	1791.00		NIST
Inp	1791.00		NIST
Tboil	561.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[438.50; 1019.39]	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			5.23400e+00
Coefficient B			1.84876e+00
Coefficient C			-1.00520e-03
Coefficient D			1.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	438.50	J/mol×K	273.00	Calculated Property
Cp,gas	541.03	J/mol×K	353.78	Calculated Property
Cp,gas	632.80	J/mol×K	434.56	Calculated Property
Cp,gas	714.36	J/mol×K	515.33	Calculated Property
Cp,gas	786.24	J/mol×K	596.11	Calculated Property
Cp,gas	848.99	J/mol×K	676.89	Calculated Property
Cp,gas	903.14	J/mol×K	757.67	Calculated Property
Cp,gas	949.23	J/mol×K	838.44	Calculated Property
Cp,gas	987.80	J/mol×K	919.22	Calculated Property
Cp,gas	1019.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070820; 0.0000547]	Pa×s	[330.97; 651.71]	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			-1.48325e+01
Coefficient B			3.27074e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.97
Temperature range, max.			651.71
η	0.0070820	Pa×s	330.97	Calculated Property
η	0.0027099	Pa×s	366.61	Calculated Property
η	0.0012293	Pa×s	402.25	Calculated Property
η	0.0006343	Pa×s	437.88	Calculated Property
η	0.0003615	Pa×s	473.52	Calculated Property
η	0.0002229	Pa×s	509.16	Calculated Property
η	0.0001464	Pa×s	544.80	Calculated Property
η	0.0001013	Pa×s	580.43	Calculated Property
η	0.0000731	Pa×s	616.07	Calculated Property
η	0.0000547	Pa×s	651.71	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(3-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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