Chemical Properties of Glutaric acid, 2,4,6-trichlorophenyl 4-methylpent-2-yl ester

InChI

InChI=1S/C17H21Cl3O4/c1-10(2)7-11(3)23-15(21)5-4-6-16(22)24-17-13(19)8-12(18)9-14(17)20/h8-11H,4-7H2,1-3H3

InChI Key

QIHSGBMOLNPRRW-UHFFFAOYSA-N

Formula

C17H21Cl3O4

SMILES

CC(C)CC(C)OC(=O)CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

395.70

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.94	kJ/mol	Joback Calculated Property
logPoct/wat	5.700		Crippen Calculated Property
McVol	278.230	ml/mol	McGowan Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[388.77; 810.83]	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			8.25540e+01
Coefficient B			1.28406e+00
Coefficient C			-6.09480e-04
Coefficient D			5.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.77	J/mol×K	273.00	Calculated Property
Cp,gas	462.92	J/mol×K	353.78	Calculated Property
Cp,gas	529.86	J/mol×K	434.56	Calculated Property
Cp,gas	589.76	J/mol×K	515.33	Calculated Property
Cp,gas	642.79	J/mol×K	596.11	Calculated Property
Cp,gas	689.12	J/mol×K	676.89	Calculated Property
Cp,gas	728.92	J/mol×K	757.67	Calculated Property
Cp,gas	762.36	J/mol×K	838.44	Calculated Property
Cp,gas	789.61	J/mol×K	919.22	Calculated Property
Cp,gas	810.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005652; 0.0000599]	Pa×s	[489.75; 750.99]	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			-1.39303e+01
Coefficient B			3.15984e+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.			489.75
Temperature range, max.			750.99
η	0.0005652	Pa×s	489.75	Calculated Property
η	0.0003939	Pa×s	518.78	Calculated Property
η	0.0002853	Pa×s	547.80	Calculated Property
η	0.0002134	Pa×s	576.83	Calculated Property
η	0.0001641	Pa×s	605.86	Calculated Property
η	0.0001293	Pa×s	634.88	Calculated Property
η	0.0001040	Pa×s	663.91	Calculated Property
η	0.0000852	Pa×s	692.93	Calculated Property
η	0.0000709	Pa×s	721.96	Calculated Property
η	0.0000599	Pa×s	750.99	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 4-methylpent-2-yl 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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