Chemical Properties of Diethylmalonic acid, monochloride, 2-hexyl ester

InChI

InChI=1S/C13H23ClO3/c1-5-8-9-10(4)17-12(16)13(6-2,7-3)11(14)15/h10H,5-9H2,1-4H3

InChI Key

AIYXBPLQLSQRIQ-UHFFFAOYSA-N

Formula

C13H23ClO3

SMILES

CCCCC(C)OC(=O)C(CC)(CC)C(=O)Cl

Molecular Weight¹

262.78

• 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°	28.65	kJ/mol	Joback Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
logPoct/wat	3.680		Crippen Calculated Property
McVol	215.280	ml/mol	McGowan Calculated Property
Inp	[1448.00; 1448.00]
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	517.72	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.38; 648.93]	J/mol×K	[642.89; 832.86]
Cp,gas	568.38	J/mol×K	642.89	Joback Calculated Property
Cp,gas	583.94	J/mol×K	674.55	Joback Calculated Property
Cp,gas	598.61	J/mol×K	706.21	Joback Calculated Property
Cp,gas	612.41	J/mol×K	737.88	Joback Calculated Property
Cp,gas	625.38	J/mol×K	769.54	Joback Calculated Property
Cp,gas	637.54	J/mol×K	801.20	Joback Calculated Property
Cp,gas	648.93	J/mol×K	832.86	Joback Calculated Property
η	[0.0001160; 0.0038400]	Pa×s	[345.87; 642.89]
η	0.0038400	Pa×s	345.87	Joback Calculated Property
η	0.0014873	Pa×s	395.37	Joback Calculated Property
η	0.0007115	Pa×s	444.88	Joback Calculated Property
η	0.0003945	Pa×s	494.38	Joback Calculated Property
η	0.0002435	Pa×s	543.88	Joback Calculated Property
η	0.0001629	Pa×s	593.39	Joback Calculated Property
η	0.0001160	Pa×s	642.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-hexyl 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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