Chemical Properties of Diethylmalonic acid, nonyl 3-phenoxybenzyl ester

InChI

InChI=1S/C29H40O5/c1-4-7-8-9-10-11-15-21-32-27(30)29(5-2,6-3)28(31)33-23-24-17-16-20-26(22-24)34-25-18-13-12-14-19-25/h12-14,16-20,22H,4-11,15,21,23H2,1-3H3

InChI Key

HJCGIGCOJMICQJ-UHFFFAOYSA-N

Formula

C29H40O5

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

468.63

• 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	[555.34; 1311.56]	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			-2.51390e+01
Coefficient B			2.49456e+00
Coefficient C			-1.42076e-03
Coefficient D			2.62900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	555.34	J/mol×K	273.00	Calculated Property
Cp,gas	691.20	J/mol×K	353.78	Calculated Property
Cp,gas	812.17	J/mol×K	434.56	Calculated Property
Cp,gas	919.06	J/mol×K	515.33	Calculated Property
Cp,gas	1012.72	J/mol×K	596.11	Calculated Property
Cp,gas	1093.97	J/mol×K	676.89	Calculated Property
Cp,gas	1163.65	J/mol×K	757.67	Calculated Property
Cp,gas	1222.59	J/mol×K	838.44	Calculated Property
Cp,gas	1271.62	J/mol×K	919.22	Calculated Property
Cp,gas	1311.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001378; 0.0000117]	Pa×s	[591.26; 905.94]	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			-1.59912e+01
Coefficient B			4.19873e+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.			591.26
Temperature range, max.			905.94
η	0.0001378	Pa×s	591.26	Calculated Property
η	0.0000927	Pa×s	626.22	Calculated Property
η	0.0000650	Pa×s	661.19	Calculated Property
η	0.0000473	Pa×s	696.15	Calculated Property
η	0.0000354	Pa×s	731.12	Calculated Property
η	0.0000273	Pa×s	766.08	Calculated Property
η	0.0000215	Pa×s	801.05	Calculated Property
η	0.0000172	Pa×s	836.01	Calculated Property
η	0.0000141	Pa×s	870.98	Calculated Property
η	0.0000117	Pa×s	905.94	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl 3-phenoxybenzyl ester.

Sources

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

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