Chemical Properties of Diethylmalonic acid, 2-formylphenyl octyl ester

InChI

InChI=1S/C22H32O5/c1-4-7-8-9-10-13-16-26-20(24)22(5-2,6-3)21(25)27-19-15-12-11-14-18(19)17-23/h11-12,14-15,17H,4-10,13,16H2,1-3H3

InChI Key

ICJISCSIRIDCBK-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

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

Molecular Weight¹

376.49

• 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	[453.61; 1041.23]	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			1.02900e+00
Coefficient B			1.94616e+00
Coefficient C			-1.11276e-03
Coefficient D			2.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	453.61	J/mol×K	273.00	Calculated Property
Cp,gas	559.42	J/mol×K	353.78	Calculated Property
Cp,gas	653.58	J/mol×K	434.56	Calculated Property
Cp,gas	736.74	J/mol×K	515.33	Calculated Property
Cp,gas	809.54	J/mol×K	596.11	Calculated Property
Cp,gas	872.66	J/mol×K	676.89	Calculated Property
Cp,gas	926.73	J/mol×K	757.67	Calculated Property
Cp,gas	972.41	J/mol×K	838.44	Calculated Property
Cp,gas	1010.36	J/mol×K	919.22	Calculated Property
Cp,gas	1041.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005708; 0.0000496]	Pa×s	[505.72; 772.65]	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			-1.45411e+01
Coefficient B			3.57673e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			505.72
Temperature range, max.			772.65
η	0.0005708	Pa×s	505.72	Calculated Property
η	0.0003857	Pa×s	535.38	Calculated Property
η	0.0002716	Pa×s	565.04	Calculated Property
η	0.0001981	Pa×s	594.70	Calculated Property
η	0.0001489	Pa×s	624.36	Calculated Property
η	0.0001148	Pa×s	654.01	Calculated Property
η	0.0000906	Pa×s	683.67	Calculated Property
η	0.0000729	Pa×s	713.33	Calculated Property
η	0.0000596	Pa×s	742.99	Calculated Property
η	0.0000496	Pa×s	772.65	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.