Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester

InChI

InChI=1S/C29H48O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(7-2,8-3)28(31)33-26-22-20-21-24(4)25(26)5/h20-22H,6-19,23H2,1-5H3

InChI Key

VSDKERXGMVSMIX-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

460.69

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[599.74; 1408.54]	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			-2.43500e+00
Coefficient B			2.57720e+00
Coefficient C			-1.43352e-03
Coefficient D			2.67300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	599.74	J/mol×K	273.00	Calculated Property
Cp,gas	741.74	J/mol×K	353.78	Calculated Property
Cp,gas	868.73	J/mol×K	434.56	Calculated Property
Cp,gas	981.57	J/mol×K	515.33	Calculated Property
Cp,gas	1081.08	J/mol×K	596.11	Calculated Property
Cp,gas	1168.13	J/mol×K	676.89	Calculated Property
Cp,gas	1243.56	J/mol×K	757.67	Calculated Property
Cp,gas	1308.21	J/mol×K	838.44	Calculated Property
Cp,gas	1362.92	J/mol×K	919.22	Calculated Property
Cp,gas	1408.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002132; 0.0000158]	Pa×s	[555.13; 869.98]	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			-1.56443e+01
Coefficient B			3.99196e+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.			555.13
Temperature range, max.			869.98
η	0.0002132	Pa×s	555.13	Calculated Property
η	0.0001392	Pa×s	590.11	Calculated Property
η	0.0000953	Pa×s	625.10	Calculated Property
η	0.0000680	Pa×s	660.08	Calculated Property
η	0.0000501	Pa×s	695.06	Calculated Property
η	0.0000381	Pa×s	730.05	Calculated Property
η	0.0000296	Pa×s	765.03	Calculated Property
η	0.0000236	Pa×s	800.01	Calculated Property
η	0.0000191	Pa×s	835.00	Calculated Property
η	0.0000158	Pa×s	869.98	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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