Chemical Properties of Malonic acid, 2-chloropropyl pentadecyl ester

InChI

InChI=1S/C21H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20(23)17-21(24)26-18-19(2)22/h19H,3-18H2,1-2H3

InChI Key

DQWVDNYIQVEEMR-UHFFFAOYSA-N

Formula

C21H39ClO4

SMILES

CCCCCCCCCCCCCCCOC(=O)CC(=O)OCC(C)Cl

Molecular Weight¹

390.99

• 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	[496.74; 1127.77]	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			4.58260e+01
Coefficient B			1.90194e+00
Coefficient C			-9.53000e-04
Coefficient D			1.33000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	496.74	J/mol×K	273.00	Calculated Property
Cp,gas	605.30	J/mol×K	353.78	Calculated Property
Cp,gas	703.28	J/mol×K	434.56	Calculated Property
Cp,gas	791.07	J/mol×K	515.33	Calculated Property
Cp,gas	869.12	J/mol×K	596.11	Calculated Property
Cp,gas	937.83	J/mol×K	676.89	Calculated Property
Cp,gas	997.63	J/mol×K	757.67	Calculated Property
Cp,gas	1048.94	J/mol×K	838.44	Calculated Property
Cp,gas	1092.18	J/mol×K	919.22	Calculated Property
Cp,gas	1127.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012024; 0.0000537]	Pa×s	[426.01; 715.04]	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			-1.44143e+01
Coefficient B			3.27638e+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.			426.01
Temperature range, max.			715.04
η	0.0012024	Pa×s	426.01	Calculated Property
η	0.0007013	Pa×s	458.12	Calculated Property
η	0.0004390	Pa×s	490.24	Calculated Property
η	0.0002911	Pa×s	522.35	Calculated Property
η	0.0002024	Pa×s	554.47	Calculated Property
η	0.0001465	Pa×s	586.58	Calculated Property
η	0.0001096	Pa×s	618.70	Calculated Property
η	0.0000844	Pa×s	650.81	Calculated Property
η	0.0000666	Pa×s	682.93	Calculated Property
η	0.0000537	Pa×s	715.04	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2-chloropropyl pentadecyl ester.

Sources

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

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