Chemical Properties of Diethylmalonic acid, 2-chlorophenyl heptadecyl ester

InChI

InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-28(32)30(5-2,6-3)29(33)35-27-24-21-20-23-26(27)31/h20-21,23-24H,4-19,22,25H2,1-3H3

InChI Key

FCICHOIPTPCMRR-UHFFFAOYSA-N

Formula

C30H49ClO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

509.16

• 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).
• IE : Ionization energy (eV).
• 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 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	[631.81; 1471.45]	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			-4.75200e+00
Coefficient B			2.73846e+00
Coefficient C			-1.57536e-03
Coefficient D			3.13100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	631.81	J/mol×K	273.00	Calculated Property
Cp,gas	780.75	J/mol×K	353.78	Calculated Property
Cp,gas	913.47	J/mol×K	434.56	Calculated Property
Cp,gas	1030.95	J/mol×K	515.33	Calculated Property
Cp,gas	1134.20	J/mol×K	596.11	Calculated Property
Cp,gas	1224.19	J/mol×K	676.89	Calculated Property
Cp,gas	1301.92	J/mol×K	757.67	Calculated Property
Cp,gas	1368.38	J/mol×K	838.44	Calculated Property
Cp,gas	1424.56	J/mol×K	919.22	Calculated Property
Cp,gas	1471.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001583; 0.0000106]	Pa×s	[583.80; 921.84]	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			-1.61312e+01
Coefficient B			4.30870e+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.			583.80
Temperature range, max.			921.84
η	0.0001583	Pa×s	583.80	Calculated Property
η	0.0001014	Pa×s	621.36	Calculated Property
η	0.0000683	Pa×s	658.92	Calculated Property
η	0.0000480	Pa×s	696.48	Calculated Property
η	0.0000350	Pa×s	734.04	Calculated Property
η	0.0000263	Pa×s	771.60	Calculated Property
η	0.0000203	Pa×s	809.16	Calculated Property
η	0.0000160	Pa×s	846.72	Calculated Property
η	0.0000129	Pa×s	884.28	Calculated Property
η	0.0000106	Pa×s	921.84	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl heptadecyl ester.

Sources

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

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