Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 2-methylbutyl ester

InChI

InChI=1S/C16H20Cl2O4/c1-3-11(2)10-21-14(19)8-5-9-15(20)22-13-7-4-6-12(17)16(13)18/h4,6-7,11H,3,5,8-10H2,1-2H3

InChI Key

CCTJHZGTYOJVIB-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

CCC(C)COC(=O)CCCC(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

347.23

• 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°	44.07	kJ/mol	Joback Calculated Property
logPoct/wat	4.658		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Inp	[2406.00; 2406.00]
Inp	2406.00		NIST
Inp	2406.00		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	[351.92; 753.48]	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			5.79550e+01
Coefficient B			1.23584e+00
Coefficient C			-5.98520e-04
Coefficient D			5.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.92	J/mol×K	273.00	Calculated Property
Cp,gas	422.83	J/mol×K	353.78	Calculated Property
Cp,gas	486.75	J/mol×K	434.56	Calculated Property
Cp,gas	543.84	J/mol×K	515.33	Calculated Property
Cp,gas	594.30	J/mol×K	596.11	Calculated Property
Cp,gas	638.30	J/mol×K	676.89	Calculated Property
Cp,gas	676.04	J/mol×K	757.67	Calculated Property
Cp,gas	707.69	J/mol×K	838.44	Calculated Property
Cp,gas	733.44	J/mol×K	919.22	Calculated Property
Cp,gas	753.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008408; 0.0000842]	Pa×s	[451.04; 701.38]	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			-1.35280e+01
Coefficient B			2.90780e+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.			451.04
Temperature range, max.			701.38
η	0.0008408	Pa×s	451.04	Calculated Property
η	0.0005782	Pa×s	478.86	Calculated Property
η	0.0004143	Pa×s	506.67	Calculated Property
η	0.0003073	Pa×s	534.49	Calculated Property
η	0.0002348	Pa×s	562.30	Calculated Property
η	0.0001840	Pa×s	590.12	Calculated Property
η	0.0001474	Pa×s	617.93	Calculated Property
η	0.0001204	Pa×s	645.75	Calculated Property
η	0.0000999	Pa×s	673.56	Calculated Property
η	0.0000842	Pa×s	701.38	Calculated Property

Similar Compounds

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

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