Chemical Properties of Diethylmalonic acid, ethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C17H32O4/c1-8-17(9-2,14(18)20-10-3)15(19)21-12-13(4)11-16(5,6)7/h13H,8-12H2,1-7H3

InChI Key

NKOWZVXFTIZKQH-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

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

Molecular Weight¹

300.44

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-1036.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.01	kJ/mol	Joback Calculated Property
ΔvapH°	77.17	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.971		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	563.19	K	Relay (1.0) Calculated Property
Tfus	290.10	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.21; 887.06]	J/mol×K	[734.04; 924.09]
Cp,gas	795.21	J/mol×K	734.04	Joback Calculated Property
Cp,gas	812.97	J/mol×K	765.72	Joback Calculated Property
Cp,gas	829.69	J/mol×K	797.39	Joback Calculated Property
Cp,gas	845.42	J/mol×K	829.07	Joback Calculated Property
Cp,gas	860.20	J/mol×K	860.74	Joback Calculated Property
Cp,gas	874.07	J/mol×K	892.42	Joback Calculated Property
Cp,gas	887.06	J/mol×K	924.09	Joback Calculated Property
η	[0.0000511; 0.0013952]	Pa×s	[415.51; 734.04]
η	0.0013952	Pa×s	415.51	Joback Calculated Property
η	0.0005884	Pa×s	468.60	Joback Calculated Property
η	0.0002958	Pa×s	521.69	Joback Calculated Property
η	0.0001689	Pa×s	574.77	Joback Calculated Property
η	0.0001060	Pa×s	627.86	Joback Calculated Property
η	0.0000715	Pa×s	680.95	Joback Calculated Property
η	0.0000511	Pa×s	734.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 2,4,4-trimethylpentyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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