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

InChI

InChI=1S/C30H58O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-33-27(31)30(9-2,10-3)28(32)34-25-26(4)24-29(5,6)7/h26H,8-25H2,1-7H3

InChI Key

ARLBEAMYUXWXBI-UHFFFAOYSA-N

Formula

C30H58O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

482.78

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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, 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	[671.33; 1586.75]	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			-2.41920e+01
Coefficient B			3.00184e+00
Coefficient C			-1.76580e-03
Coefficient D			3.74900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	671.33	J/mol×K	273.00	Calculated Property
Cp,gas	833.39	J/mol×K	353.78	Calculated Property
Cp,gas	977.59	J/mol×K	434.56	Calculated Property
Cp,gas	1105.12	J/mol×K	515.33	Calculated Property
Cp,gas	1217.18	J/mol×K	596.11	Calculated Property
Cp,gas	1314.94	J/mol×K	676.89	Calculated Property
Cp,gas	1399.59	J/mol×K	757.67	Calculated Property
Cp,gas	1472.32	J/mol×K	838.44	Calculated Property
Cp,gas	1534.31	J/mol×K	919.22	Calculated Property
Cp,gas	1586.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003552; 0.0000090]	Pa×s	[502.36; 860.33]	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			-1.67684e+01
Coefficient B			4.43358e+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.			502.36
Temperature range, max.			860.33
η	0.0003552	Pa×s	502.36	Calculated Property
η	0.0001859	Pa×s	542.13	Calculated Property
η	0.0001063	Pa×s	581.91	Calculated Property
η	0.0000653	Pa×s	621.68	Calculated Property
η	0.0000425	Pa×s	661.46	Calculated Property
η	0.0000291	Pa×s	701.23	Calculated Property
η	0.0000207	Pa×s	741.00	Calculated Property
η	0.0000153	Pa×s	780.78	Calculated Property
η	0.0000116	Pa×s	820.55	Calculated Property
η	0.0000090	Pa×s	860.33	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentadecyl 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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