Chemical Properties of Diethylmalonic acid, isobutyl 3-methylphenyl ester

InChI

InChI=1S/C18H26O4/c1-6-18(7-2,16(19)21-12-13(3)4)17(20)22-15-10-8-9-14(5)11-15/h8-11,13H,6-7,12H2,1-5H3

InChI Key

YBKFMDATSPRFDI-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc(C)c1

Molecular Weight¹

306.40

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Cheméo can also estimate 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 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	[363.52; 844.62]	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			-8.41700e+00
Coefficient B			1.59760e+00
Coefficient C			-9.05360e-04
Coefficient D			1.60800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.52	J/mol×K	273.00	Calculated Property
Cp,gas	450.58	J/mol×K	353.78	Calculated Property
Cp,gas	528.06	J/mol×K	434.56	Calculated Property
Cp,gas	596.45	J/mol×K	515.33	Calculated Property
Cp,gas	656.27	J/mol×K	596.11	Calculated Property
Cp,gas	708.03	J/mol×K	676.89	Calculated Property
Cp,gas	752.24	J/mol×K	757.67	Calculated Property
Cp,gas	789.40	J/mol×K	838.44	Calculated Property
Cp,gas	820.03	J/mol×K	919.22	Calculated Property
Cp,gas	844.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014350; 0.0000701]	Pa×s	[403.64; 672.89]	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			-1.40911e+01
Coefficient B			3.04528e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			403.64
Temperature range, max.			672.89
η	0.0014350	Pa×s	403.64	Calculated Property
η	0.0008527	Pa×s	433.56	Calculated Property
η	0.0005418	Pa×s	463.47	Calculated Property
η	0.0003638	Pa×s	493.39	Calculated Property
η	0.0002556	Pa×s	523.31	Calculated Property
η	0.0001866	Pa×s	553.22	Calculated Property
η	0.0001407	Pa×s	583.14	Calculated Property
η	0.0001090	Pa×s	613.06	Calculated Property
η	0.0000865	Pa×s	642.97	Calculated Property
η	0.0000701	Pa×s	672.89	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 3-methylphenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.