Chemical Properties of Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-19-22-31-26(29)28(7-2,8-3)27(30)33-25-21-18-17-20-24(25)32-23(4)5/h17-18,20-21,23H,6-16,19,22H2,1-5H3

InChI Key

AILOXQJJLDPFGT-UHFFFAOYSA-N

Formula

C28H46O5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

462.67

• 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	[591.07; 1379.03]	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			7.99300e+00
Coefficient B			2.48440e+00
Coefficient C			-1.33836e-03
Coefficient D			2.25000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	591.07	J/mol×K	273.00	Calculated Property
Cp,gas	729.37	J/mol×K	353.78	Calculated Property
Cp,gas	853.33	J/mol×K	434.56	Calculated Property
Cp,gas	963.65	J/mol×K	515.33	Calculated Property
Cp,gas	1061.05	J/mol×K	596.11	Calculated Property
Cp,gas	1146.23	J/mol×K	676.89	Calculated Property
Cp,gas	1219.91	J/mol×K	757.67	Calculated Property
Cp,gas	1282.79	J/mol×K	838.44	Calculated Property
Cp,gas	1335.60	J/mol×K	919.22	Calculated Property
Cp,gas	1379.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002192; 0.0000124]	Pa×s	[538.57; 864.10]	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			-1.60550e+01
Coefficient B			4.10897e+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.			538.57
Temperature range, max.			864.10
η	0.0002192	Pa×s	538.57	Calculated Property
η	0.0001356	Pa×s	574.74	Calculated Property
η	0.0000888	Pa×s	610.91	Calculated Property
η	0.0000610	Pa×s	647.08	Calculated Property
η	0.0000436	Pa×s	683.25	Calculated Property
η	0.0000322	Pa×s	719.42	Calculated Property
η	0.0000245	Pa×s	755.59	Calculated Property
η	0.0000191	Pa×s	791.76	Calculated Property
η	0.0000152	Pa×s	827.93	Calculated Property
η	0.0000124	Pa×s	864.10	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester.

Sources

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

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