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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.15; 697.42]	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			1.05750e+01
Coefficient B			1.29458e+00
Coefficient C			-7.65500e-04
Coefficient D			1.57760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.15	J/mol×K	273.00	Calculated Property
Cp,gas	379.74	J/mol×K	353.78	Calculated Property
Cp,gas	441.53	J/mol×K	434.56	Calculated Property
Cp,gas	496.01	J/mol×K	515.33	Calculated Property
Cp,gas	543.69	J/mol×K	596.11	Calculated Property
Cp,gas	585.05	J/mol×K	676.89	Calculated Property
Cp,gas	620.61	J/mol×K	757.67	Calculated Property
Cp,gas	650.86	J/mol×K	838.44	Calculated Property
Cp,gas	676.29	J/mol×K	919.22	Calculated Property
Cp,gas	697.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038400; 0.0001763]	Pa×s	[345.87; 583.00]	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			-1.31377e+01
Coefficient B			2.62011e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			345.87
Temperature range, max.			583.00
η	0.0038400	Pa×s	345.87	Calculated Property
η	0.0022462	Pa×s	372.22	Calculated Property
η	0.0014104	Pa×s	398.57	Calculated Property
η	0.0009383	Pa×s	424.91	Calculated Property
η	0.0006546	Pa×s	451.26	Calculated Property
η	0.0004752	Pa×s	477.61	Calculated Property
η	0.0003567	Pa×s	503.96	Calculated Property
η	0.0002755	Pa×s	530.31	Calculated Property
η	0.0002180	Pa×s	556.66	Calculated Property
η	0.0001763	Pa×s	583.00	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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