Chemical Properties of Diethylmalonic acid, hept-4-yl hexadecyl ester

InChI

InChI=1S/C30H58O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28(31)30(9-4,10-5)29(32)34-27(24-7-2)25-8-3/h27H,6-26H2,1-5H3

InChI Key

KHRCREPAWHBALE-UHFFFAOYSA-N

Formula

C30H58O4

SMILES

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

Molecular Weight¹

482.78

• 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).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical 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 Volume, 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	[672.79; 1585.28]	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			2.81000e-01
Coefficient B			2.87600e+00
Coefficient C			-1.59400e-03
Coefficient D			3.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	672.79	J/mol×K	273.00	Calculated Property
Cp,gas	831.66	J/mol×K	353.78	Calculated Property
Cp,gas	973.92	J/mol×K	434.56	Calculated Property
Cp,gas	1100.53	J/mol×K	515.33	Calculated Property
Cp,gas	1212.45	J/mol×K	596.11	Calculated Property
Cp,gas	1310.65	J/mol×K	676.89	Calculated Property
Cp,gas	1396.07	J/mol×K	757.67	Calculated Property
Cp,gas	1469.68	J/mol×K	838.44	Calculated Property
Cp,gas	1532.43	J/mol×K	919.22	Calculated Property
Cp,gas	1585.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003908; 0.0000112]	Pa×s	[499.94; 867.47]	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			-1.62344e+01
Coefficient B			4.19304e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			499.94
Temperature range, max.			867.47
η	0.0003908	Pa×s	499.94	Calculated Property
η	0.0002074	Pa×s	540.78	Calculated Property
η	0.0001204	Pa×s	581.61	Calculated Property
η	0.0000750	Pa×s	622.45	Calculated Property
η	0.0000495	Pa×s	663.29	Calculated Property
η	0.0000343	Pa×s	704.13	Calculated Property
η	0.0000248	Pa×s	744.96	Calculated Property
η	0.0000185	Pa×s	785.80	Calculated Property
η	0.0000142	Pa×s	826.64	Calculated Property
η	0.0000112	Pa×s	867.47	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hept-4-yl hexadecyl 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.