Chemical Properties of Malonic acid, 3-heptyl pentadecyl ester

InChI

InChI=1S/C25H48O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-28-24(26)22-25(27)29-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3

InChI Key

KDSSAAVRZMVISC-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CC(=O)OC(CC)CCCC

Molecular Weight¹

412.65

• 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	[568.19; 1325.86]	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			2.92990e+01
Coefficient B			2.27516e+00
Coefficient C			-1.15020e-03
Coefficient D			1.71600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.19	J/mol×K	273.00	Calculated Property
Cp,gas	697.84	J/mol×K	353.78	Calculated Property
Cp,gas	814.86	J/mol×K	434.56	Calculated Property
Cp,gas	919.79	J/mol×K	515.33	Calculated Property
Cp,gas	1013.17	J/mol×K	596.11	Calculated Property
Cp,gas	1095.55	J/mol×K	676.89	Calculated Property
Cp,gas	1167.47	J/mol×K	757.67	Calculated Property
Cp,gas	1229.46	J/mol×K	838.44	Calculated Property
Cp,gas	1282.08	J/mol×K	919.22	Calculated Property
Cp,gas	1325.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009393; 0.0000339]	Pa×s	[441.17; 761.60]	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			-1.48624e+01
Coefficient B			3.48170e+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.			441.17
Temperature range, max.			761.60
η	0.0009393	Pa×s	441.17	Calculated Property
η	0.0005210	Pa×s	476.77	Calculated Property
η	0.0003137	Pa×s	512.38	Calculated Property
η	0.0002017	Pa×s	547.98	Calculated Property
η	0.0001369	Pa×s	583.58	Calculated Property
η	0.0000971	Pa×s	619.18	Calculated Property
η	0.0000716	Pa×s	654.79	Calculated Property
η	0.0000544	Pa×s	690.39	Calculated Property
η	0.0000425	Pa×s	725.99	Calculated Property
η	0.0000339	Pa×s	761.60	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 3-heptyl pentadecyl ester.

Sources

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

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