Chemical Properties of Glutaric acid, 1-cyclopentylethyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C18H22Cl2O4/c1-12(13-6-2-3-7-13)23-16(21)10-5-11-17(22)24-15-9-4-8-14(19)18(15)20/h4,8-9,12-13H,2-3,5-7,10-11H2,1H3

InChI Key

MWJCIDWUJHZMGV-UHFFFAOYSA-N

Formula

C18H22Cl2O4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl)C1CCCC1

Molecular Weight¹

373.27

• 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°	43.18	kJ/mol	Joback Calculated Property
logPoct/wat	5.191		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Inp	[2650.00; 2650.00]
Inp	2650.00		NIST
Inp	2650.00		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	[361.12; 839.95]	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			-4.34700e+00
Coefficient B			1.55752e+00
Coefficient C			-8.34720e-04
Coefficient D			1.21500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.12	J/mol×K	273.00	Calculated Property
Cp,gas	447.58	J/mol×K	353.78	Calculated Property
Cp,gas	524.83	J/mol×K	434.56	Calculated Property
Cp,gas	593.25	J/mol×K	515.33	Calculated Property
Cp,gas	653.23	J/mol×K	596.11	Calculated Property
Cp,gas	705.15	J/mol×K	676.89	Calculated Property
Cp,gas	749.40	J/mol×K	757.67	Calculated Property
Cp,gas	786.36	J/mol×K	838.44	Calculated Property
Cp,gas	816.42	J/mol×K	919.22	Calculated Property
Cp,gas	839.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008477; 0.0000916]	Pa×s	[484.48; 755.26]	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			-1.32797e+01
Coefficient B			3.00702e+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.			484.48
Temperature range, max.			755.26
η	0.0008477	Pa×s	484.48	Calculated Property
η	0.0005897	Pa×s	514.57	Calculated Property
η	0.0004270	Pa×s	544.65	Calculated Property
η	0.0003198	Pa×s	574.74	Calculated Property
η	0.0002465	Pa×s	604.83	Calculated Property
η	0.0001948	Pa×s	634.92	Calculated Property
η	0.0001572	Pa×s	665.00	Calculated Property
η	0.0001293	Pa×s	695.09	Calculated Property
η	0.0001080	Pa×s	725.18	Calculated Property
η	0.0000916	Pa×s	755.26	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 2,3-dichlorophenyl 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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