Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 3-methyl-5-methoxypentyl ester

InChI

InChI=1S/C18H24Cl2O5/c1-13(9-11-23-2)10-12-24-16(21)7-4-8-17(22)25-15-6-3-5-14(19)18(15)20/h3,5-6,13H,4,7-12H2,1-2H3

InChI Key

VNQMXRYYJPHAPM-UHFFFAOYSA-N

Formula

C18H24Cl2O5

SMILES

COCCC(C)CCOC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

391.29

• 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°	50.44	kJ/mol	Joback Calculated Property
logPoct/wat	4.675		Crippen Calculated Property
McVol	285.950	ml/mol	McGowan Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		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	[409.75; 875.16]	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			8.16370e+01
Coefficient B			1.36264e+00
Coefficient C			-5.96320e-04
Coefficient D			2.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	409.75	J/mol×K	273.00	Calculated Property
Cp,gas	490.28	J/mol×K	353.78	Calculated Property
Cp,gas	563.40	J/mol×K	434.56	Calculated Property
Cp,gas	629.21	J/mol×K	515.33	Calculated Property
Cp,gas	687.78	J/mol×K	596.11	Calculated Property
Cp,gas	739.21	J/mol×K	676.89	Calculated Property
Cp,gas	783.57	J/mol×K	757.67	Calculated Property
Cp,gas	820.96	J/mol×K	838.44	Calculated Property
Cp,gas	851.46	J/mol×K	919.22	Calculated Property
Cp,gas	875.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004520; 0.0000506]	Pa×s	[495.81; 748.11]	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			-1.41925e+01
Coefficient B			3.21821e+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.			495.81
Temperature range, max.			748.11
η	0.0004520	Pa×s	495.81	Calculated Property
η	0.0003194	Pa×s	523.84	Calculated Property
η	0.0002338	Pa×s	551.88	Calculated Property
η	0.0001763	Pa×s	579.91	Calculated Property
η	0.0001365	Pa×s	607.94	Calculated Property
η	0.0001081	Pa×s	635.98	Calculated Property
η	0.0000873	Pa×s	664.01	Calculated Property
η	0.0000718	Pa×s	692.04	Calculated Property
η	0.0000599	Pa×s	720.07	Calculated Property
η	0.0000506	Pa×s	748.11	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 3-methyl-5-methoxypentyl 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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