Chemical Properties of Diethylmalonic acid, 2-isopropylphenyl octyl ester

InChI

InChI=1S/C24H38O4/c1-6-9-10-11-12-15-18-27-22(25)24(7-2,8-3)23(26)28-21-17-14-13-16-20(21)19(4)5/h13-14,16-17,19H,6-12,15,18H2,1-5H3

InChI Key

OYWLAYRVWXUMBG-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

390.56

• 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	[490.81; 1154.17]	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			-1.38710e+01
Coefficient B			2.16760e+00
Coefficient C			-1.23176e-03
Coefficient D			2.32200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.81	J/mol×K	273.00	Calculated Property
Cp,gas	609.09	J/mol×K	353.78	Calculated Property
Cp,gas	714.52	J/mol×K	434.56	Calculated Property
Cp,gas	807.83	J/mol×K	515.33	Calculated Property
Cp,gas	889.74	J/mol×K	596.11	Calculated Property
Cp,gas	961.00	J/mol×K	676.89	Calculated Property
Cp,gas	1022.34	J/mol×K	757.67	Calculated Property
Cp,gas	1074.49	J/mol×K	838.44	Calculated Property
Cp,gas	1118.19	J/mol×K	919.22	Calculated Property
Cp,gas	1154.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006226; 0.0000321]	Pa×s	[471.26; 768.95]	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			-1.50424e+01
Coefficient B			3.61024e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			471.26
Temperature range, max.			768.95
η	0.0006226	Pa×s	471.26	Calculated Property
η	0.0003767	Pa×s	504.34	Calculated Property
η	0.0002425	Pa×s	537.41	Calculated Property
η	0.0001643	Pa×s	570.49	Calculated Property
η	0.0001161	Pa×s	603.57	Calculated Property
η	0.0000851	Pa×s	636.64	Calculated Property
η	0.0000643	Pa×s	669.72	Calculated Property
η	0.0000499	Pa×s	702.80	Calculated Property
η	0.0000396	Pa×s	735.88	Calculated Property
η	0.0000321	Pa×s	768.95	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-isopropylphenyl octyl ester.

Sources

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

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