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

InChI

InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(7-2,8-3)29(32)34-27-23-21-22-25(4)26(27)5/h21-23H,6-20,24H2,1-5H3

InChI Key

LSNAVAHTRIMYLA-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

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

Molecular Weight¹

474.72

• 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	[620.95; 1460.14]	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			-3.34400e+00
Coefficient B			2.67220e+00
Coefficient C			-1.48792e-03
Coefficient D			2.79200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	620.95	J/mol×K	273.00	Calculated Property
Cp,gas	768.16	J/mol×K	353.78	Calculated Property
Cp,gas	899.81	J/mol×K	434.56	Calculated Property
Cp,gas	1016.80	J/mol×K	515.33	Calculated Property
Cp,gas	1120.00	J/mol×K	596.11	Calculated Property
Cp,gas	1210.30	J/mol×K	676.89	Calculated Property
Cp,gas	1288.58	J/mol×K	757.67	Calculated Property
Cp,gas	1355.72	J/mol×K	838.44	Calculated Property
Cp,gas	1412.61	J/mol×K	919.22	Calculated Property
Cp,gas	1460.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001843; 0.0000133]	Pa×s	[566.40; 891.76]	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			-1.58133e+01
Coefficient B			4.08612e+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.			566.40
Temperature range, max.			891.76
η	0.0001843	Pa×s	566.40	Calculated Property
η	0.0001195	Pa×s	602.55	Calculated Property
η	0.0000814	Pa×s	638.70	Calculated Property
η	0.0000578	Pa×s	674.85	Calculated Property
η	0.0000425	Pa×s	711.00	Calculated Property
η	0.0000322	Pa×s	747.15	Calculated Property
η	0.0000250	Pa×s	783.30	Calculated Property
η	0.0000199	Pa×s	819.45	Calculated Property
η	0.0000161	Pa×s	855.60	Calculated Property
η	0.0000133	Pa×s	891.76	Calculated Property

Similar Compounds

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

Sources

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

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