Chemical Properties of Diethylmalonic acid, pentadecyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C28H43Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-34-26(32)28(5-2,6-3)27(33)35-24-21-22(29)20-23(30)25(24)31/h20-21H,4-19H2,1-3H3

InChI Key

LDGKKSBQQXKTKN-UHFFFAOYSA-N

Formula

C28H43Cl3O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

550.00

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	75.06	kJ/mol	Joback Calculated Property
logPoct/wat	9.993		Crippen Calculated Property
McVol	433.220	ml/mol	McGowan Calculated Property
Inp	[3429.00; 3429.00]
Inp	3429.00		NIST
Inp	3429.00		NIST
Tboil	701.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[621.29; 1378.73]	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			5.14460e+01
Coefficient B			2.44306e+00
Coefficient C			-1.37328e-03
Coefficient D			2.57500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	621.29	J/mol×K	273.00	Calculated Property
Cp,gas	755.27	J/mol×K	353.78	Calculated Property
Cp,gas	874.89	J/mol×K	434.56	Calculated Property
Cp,gas	980.98	J/mol×K	515.33	Calculated Property
Cp,gas	1074.33	J/mol×K	596.11	Calculated Property
Cp,gas	1155.78	J/mol×K	676.89	Calculated Property
Cp,gas	1226.13	J/mol×K	757.67	Calculated Property
Cp,gas	1286.19	J/mol×K	838.44	Calculated Property
Cp,gas	1336.79	J/mol×K	919.22	Calculated Property
Cp,gas	1378.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000907; 0.0000102]	Pa×s	[646.14; 954.76]	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			-1.60561e+01
Coefficient B			4.36050e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			646.14
Temperature range, max.			954.76
η	0.0000907	Pa×s	646.14	Calculated Property
η	0.0000646	Pa×s	680.43	Calculated Property
η	0.0000475	Pa×s	714.72	Calculated Property
η	0.0000359	Pa×s	749.01	Calculated Property
η	0.0000278	Pa×s	783.31	Calculated Property
η	0.0000220	Pa×s	817.60	Calculated Property
η	0.0000178	Pa×s	851.89	Calculated Property
η	0.0000146	Pa×s	886.18	Calculated Property
η	0.0000121	Pa×s	920.47	Calculated Property
η	0.0000102	Pa×s	954.76	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentadecyl 2,3,5-trichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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