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

InChI

InChI=1S/C15H27ClO3/c1-7-15(8-2,12(16)17)13(18)19-10-11(3)9-14(4,5)6/h11H,7-10H2,1-6H3

InChI Key

BFCBLBSMZGPTHY-UHFFFAOYSA-N

Formula

C15H27ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

290.83

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[351.12; 802.06]	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			-1.57160e+01
Coefficient B			1.61042e+00
Coefficient C			-1.04610e-03
Coefficient D			2.53460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.12	J/mol×K	273.00	Calculated Property
Cp,gas	434.31	J/mol×K	353.78	Calculated Property
Cp,gas	507.36	J/mol×K	434.56	Calculated Property
Cp,gas	571.06	J/mol×K	515.33	Calculated Property
Cp,gas	626.23	J/mol×K	596.11	Calculated Property
Cp,gas	673.67	J/mol×K	676.89	Calculated Property
Cp,gas	714.16	J/mol×K	757.67	Calculated Property
Cp,gas	748.53	J/mol×K	838.44	Calculated Property
Cp,gas	777.56	J/mol×K	919.22	Calculated Property
Cp,gas	802.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031948; 0.0001208]	Pa×s	[370.83; 616.36]	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			-1.39683e+01
Coefficient B			3.04897e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			370.83
Temperature range, max.			616.36
η	0.0031948	Pa×s	370.83	Calculated Property
η	0.0018186	Pa×s	398.11	Calculated Property
η	0.0011128	Pa×s	425.39	Calculated Property
η	0.0007225	Pa×s	452.67	Calculated Property
η	0.0004927	Pa×s	479.96	Calculated Property
η	0.0003501	Pa×s	507.24	Calculated Property
η	0.0002576	Pa×s	534.52	Calculated Property
η	0.0001953	Pa×s	561.80	Calculated Property
η	0.0001519	Pa×s	589.08	Calculated Property
η	0.0001208	Pa×s	616.36	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 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

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