Chemical Properties of Diethylmalonic acid, 2-formylphenyl hexadecyl ester

InChI

InChI=1S/C30H48O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-28(32)30(5-2,6-3)29(33)35-27-23-20-19-22-26(27)25-31/h19-20,22-23,25H,4-18,21,24H2,1-3H3

InChI Key

WBPBOWQFKCMJAJ-UHFFFAOYSA-N

Formula

C30H48O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

488.70

• 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	[623.32; 1453.96]	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			-6.24300e+00
Coefficient B			2.70616e+00
Coefficient C			-1.54796e-03
Coefficient D			3.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	623.32	J/mol×K	273.00	Calculated Property
Cp,gas	770.77	J/mol×K	353.78	Calculated Property
Cp,gas	902.20	J/mol×K	434.56	Calculated Property
Cp,gas	1018.57	J/mol×K	515.33	Calculated Property
Cp,gas	1120.84	J/mol×K	596.11	Calculated Property
Cp,gas	1209.95	J/mol×K	676.89	Calculated Property
Cp,gas	1286.86	J/mol×K	757.67	Calculated Property
Cp,gas	1352.53	J/mol×K	838.44	Calculated Property
Cp,gas	1407.91	J/mol×K	919.22	Calculated Property
Cp,gas	1453.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001831; 0.0000132]	Pa×s	[595.88; 933.08]	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			-1.58722e+01
Coefficient B			4.33001e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			595.88
Temperature range, max.			933.08
η	0.0001831	Pa×s	595.88	Calculated Property
η	0.0001191	Pa×s	633.35	Calculated Property
η	0.0000813	Pa×s	670.81	Calculated Property
η	0.0000578	Pa×s	708.28	Calculated Property
η	0.0000425	Pa×s	745.75	Calculated Property
η	0.0000322	Pa×s	783.21	Calculated Property
η	0.0000250	Pa×s	820.68	Calculated Property
η	0.0000199	Pa×s	858.15	Calculated Property
η	0.0000161	Pa×s	895.61	Calculated Property
η	0.0000132	Pa×s	933.08	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl hexadecyl ester.

Sources

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

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