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

InChI

InChI=1S/C19H25Cl3O4/c1-4-7-8-9-10-25-17(23)19(5-2,6-3)18(24)26-15-12-13(20)11-14(21)16(15)22/h11-12H,4-10H2,1-3H3

InChI Key

ZWXZMSOLTCMAPU-UHFFFAOYSA-N

Formula

C19H25Cl3O4

SMILES

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

Molecular Weight¹

423.76

• 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°	51.75	kJ/mol	Joback Calculated Property
logPoct/wat	6.482		Crippen Calculated Property
McVol	306.410	ml/mol	McGowan Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	638.40	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	[430.37; 914.41]	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			5.96270e+01
Coefficient B			1.58806e+00
Coefficient C			-8.83680e-04
Coefficient D			1.50400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	430.37	J/mol×K	273.00	Calculated Property
Cp,gas	517.51	J/mol×K	353.78	Calculated Property
Cp,gas	595.20	J/mol×K	434.56	Calculated Property
Cp,gas	663.91	J/mol×K	515.33	Calculated Property
Cp,gas	724.13	J/mol×K	596.11	Calculated Property
Cp,gas	776.33	J/mol×K	676.89	Calculated Property
Cp,gas	820.98	J/mol×K	757.67	Calculated Property
Cp,gas	858.56	J/mol×K	838.44	Calculated Property
Cp,gas	889.54	J/mol×K	919.22	Calculated Property
Cp,gas	914.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003108; 0.0000439]	Pa×s	[544.71; 782.09]	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			-1.45258e+01
Coefficient B			3.51306e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			544.71
Temperature range, max.			782.09
η	0.0003108	Pa×s	544.71	Calculated Property
η	0.0002307	Pa×s	571.09	Calculated Property
η	0.0001759	Pa×s	597.46	Calculated Property
η	0.0001372	Pa×s	623.84	Calculated Property
η	0.0001091	Pa×s	650.21	Calculated Property
η	0.0000884	Pa×s	676.59	Calculated Property
η	0.0000728	Pa×s	702.96	Calculated Property
η	0.0000607	Pa×s	729.34	Calculated Property
η	0.0000513	Pa×s	755.71	Calculated Property
η	0.0000439	Pa×s	782.09	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl 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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