Chemical Properties of Diethylmalonic acid, di(1-phenylpropyl) ester

InChI

InChI=1S/C25H32O4/c1-5-21(19-15-11-9-12-16-19)28-23(26)25(7-3,8-4)24(27)29-22(6-2)20-17-13-10-14-18-20/h9-18,21-22H,5-8H2,1-4H3

InChI Key

PSQVCHZPWRKXTJ-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

CCC(OC(=O)C(CC)(CC)C(=O)OC(CC)c1ccccc1)c1ccccc1

Molecular Weight¹

396.52

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[451.90; 1090.81]	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			-6.46660e+01
Coefficient B			2.24908e+00
Coefficient C			-1.38760e-03
Coefficient D			2.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	451.90	J/mol×K	273.00	Calculated Property
Cp,gas	570.36	J/mol×K	353.78	Calculated Property
Cp,gas	674.78	J/mol×K	434.56	Calculated Property
Cp,gas	766.09	J/mol×K	515.33	Calculated Property
Cp,gas	845.23	J/mol×K	596.11	Calculated Property
Cp,gas	913.12	J/mol×K	676.89	Calculated Property
Cp,gas	970.70	J/mol×K	757.67	Calculated Property
Cp,gas	1018.88	J/mol×K	838.44	Calculated Property
Cp,gas	1058.61	J/mol×K	919.22	Calculated Property
Cp,gas	1090.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006179; 0.0000240]	Pa×s	[481.43; 814.08]	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			-1.53383e+01
Coefficient B			3.82690e+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.			481.43
Temperature range, max.			814.08
η	0.0006179	Pa×s	481.43	Calculated Property
η	0.0003506	Pa×s	518.39	Calculated Property
η	0.0002145	Pa×s	555.35	Calculated Property
η	0.0001395	Pa×s	592.31	Calculated Property
η	0.0000955	Pa×s	629.27	Calculated Property
η	0.0000681	Pa×s	666.23	Calculated Property
η	0.0000504	Pa×s	703.19	Calculated Property
η	0.0000384	Pa×s	740.15	Calculated Property
η	0.0000300	Pa×s	777.11	Calculated Property
η	0.0000240	Pa×s	814.08	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(1-phenylpropyl) 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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