Chemical Properties of Diethylmalonic acid, 1-phenylpropyl propyl ester

InChI

InChI=1S/C19H28O4/c1-5-14-22-17(20)19(7-3,8-4)18(21)23-16(6-2)15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3

InChI Key

LZCDIRBKEVVVJB-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

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

Molecular Weight¹

320.43

• 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	[382.19; 899.26]	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			-2.36250e+01
Coefficient B			1.75208e+00
Coefficient C			-1.02680e-03
Coefficient D			1.97600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.19	J/mol×K	273.00	Calculated Property
Cp,gas	476.46	J/mol×K	353.78	Calculated Property
Cp,gas	560.07	J/mol×K	434.56	Calculated Property
Cp,gas	633.64	J/mol×K	515.33	Calculated Property
Cp,gas	697.79	J/mol×K	596.11	Calculated Property
Cp,gas	753.16	J/mol×K	676.89	Calculated Property
Cp,gas	800.37	J/mol×K	757.67	Calculated Property
Cp,gas	840.04	J/mol×K	838.44	Calculated Property
Cp,gas	872.79	J/mol×K	919.22	Calculated Property
Cp,gas	899.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016451; 0.0000630]	Pa×s	[402.39; 683.75]	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			-1.43393e+01
Coefficient B			3.19070e+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.			402.39
Temperature range, max.			683.75
η	0.0016451	Pa×s	402.39	Calculated Property
η	0.0009288	Pa×s	433.65	Calculated Property
η	0.0005663	Pa×s	464.91	Calculated Property
η	0.0003675	Pa×s	496.18	Calculated Property
η	0.0002510	Pa×s	527.44	Calculated Property
η	0.0001789	Pa×s	558.70	Calculated Property
η	0.0001322	Pa×s	589.96	Calculated Property
η	0.0001007	Pa×s	621.23	Calculated Property
η	0.0000787	Pa×s	652.49	Calculated Property
η	0.0000630	Pa×s	683.75	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 1-phenylpropyl propyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.