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

InChI

InChI=1S/C24H35Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-30-22(28)24(5-2,6-3)23(29)31-20-17-18(25)16-19(26)21(20)27/h16-17H,4-15H2,1-3H3

InChI Key

BSVCONJEXKTHTP-UHFFFAOYSA-N

Formula

C24H35Cl3O4

SMILES

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

Molecular Weight¹

493.89

• 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°	64.71	kJ/mol	Joback Calculated Property
logPoct/wat	8.433		Crippen Calculated Property
McVol	376.860	ml/mol	McGowan Calculated Property
Inp	[3020.00; 3020.00]
Inp	3020.00		NIST
Inp	3020.00		NIST
Tboil	673.73	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	[536.44; 1172.36]	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			5.50820e+01
Coefficient B			2.06306e+00
Coefficient C			-1.15568e-03
Coefficient D			2.09900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	536.44	J/mol×K	273.00	Calculated Property
Cp,gas	649.60	J/mol×K	353.78	Calculated Property
Cp,gas	750.58	J/mol×K	434.56	Calculated Property
Cp,gas	840.06	J/mol×K	515.33	Calculated Property
Cp,gas	918.69	J/mol×K	596.11	Calculated Property
Cp,gas	987.13	J/mol×K	676.89	Calculated Property
Cp,gas	1046.06	J/mol×K	757.67	Calculated Property
Cp,gas	1096.13	J/mol×K	838.44	Calculated Property
Cp,gas	1138.01	J/mol×K	919.22	Calculated Property
Cp,gas	1172.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001601; 0.0000206]	Pa×s	[601.06; 870.60]	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			-1.53677e+01
Coefficient B			3.98386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			601.06
Temperature range, max.			870.60
η	0.0001601	Pa×s	601.06	Calculated Property
η	0.0001169	Pa×s	631.01	Calculated Property
η	0.0000878	Pa×s	660.96	Calculated Property
η	0.0000676	Pa×s	690.91	Calculated Property
η	0.0000532	Pa×s	720.86	Calculated Property
η	0.0000427	Pa×s	750.81	Calculated Property
η	0.0000348	Pa×s	780.75	Calculated Property
η	0.0000288	Pa×s	810.70	Calculated Property
η	0.0000242	Pa×s	840.65	Calculated Property
η	0.0000206	Pa×s	870.60	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3,5-trichlorophenyl undecyl 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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