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

InChI

InChI=1S/C25H37Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-31-23(29)25(5-2,6-3)24(30)32-21-18-19(26)17-20(27)22(21)28/h17-18H,4-16H2,1-3H3

InChI Key

ZMIQNJWSFDDUDR-UHFFFAOYSA-N

Formula

C25H37Cl3O4

SMILES

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

Molecular Weight¹

507.93

• 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°	67.30	kJ/mol	Joback Calculated Property
logPoct/wat	8.823		Crippen Calculated Property
McVol	390.950	ml/mol	McGowan Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	680.64	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	[557.65; 1223.95]	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			5.41730e+01
Coefficient B			2.15806e+00
Coefficient C			-1.21008e-03
Coefficient D			2.21800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	557.65	J/mol×K	273.00	Calculated Property
Cp,gas	676.02	J/mol×K	353.78	Calculated Property
Cp,gas	781.66	J/mol×K	434.56	Calculated Property
Cp,gas	875.29	J/mol×K	515.33	Calculated Property
Cp,gas	957.60	J/mol×K	596.11	Calculated Property
Cp,gas	1029.30	J/mol×K	676.89	Calculated Property
Cp,gas	1091.08	J/mol×K	757.67	Calculated Property
Cp,gas	1143.65	J/mol×K	838.44	Calculated Property
Cp,gas	1187.70	J/mol×K	919.22	Calculated Property
Cp,gas	1223.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001393; 0.0000174]	Pa×s	[612.33; 890.38]	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			-1.55387e+01
Coefficient B			4.07802e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			612.33
Temperature range, max.			890.38
η	0.0001393	Pa×s	612.33	Calculated Property
η	0.0001012	Pa×s	643.22	Calculated Property
η	0.0000757	Pa×s	674.12	Calculated Property
η	0.0000580	Pa×s	705.01	Calculated Property
η	0.0000455	Pa×s	735.91	Calculated Property
η	0.0000364	Pa×s	766.80	Calculated Property
η	0.0000296	Pa×s	797.70	Calculated Property
η	0.0000245	Pa×s	828.59	Calculated Property
η	0.0000205	Pa×s	859.48	Calculated Property
η	0.0000174	Pa×s	890.38	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 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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