Chemical Properties of Glutaric acid, 2,3-dichlorophenyl 4-methylpent-2-yl ester

InChI

InChI=1S/C17H22Cl2O4/c1-11(2)10-12(3)22-15(20)8-5-9-16(21)23-14-7-4-6-13(18)17(14)19/h4,6-7,11-12H,5,8-10H2,1-3H3

InChI Key

DXYCDSIZXJBXIY-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

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

Molecular Weight¹

361.26

• 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°	43.13	kJ/mol	Joback Calculated Property
logPoct/wat	5.047		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Inp	[2376.00; 2376.00]
Inp	2376.00		NIST
Inp	2376.00		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	[372.82; 805.60]	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			5.53640e+01
Coefficient B			1.33676e+00
Coefficient C			-6.56120e-04
Coefficient D			6.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.82	J/mol×K	273.00	Calculated Property
Cp,gas	449.24	J/mol×K	353.78	Calculated Property
Cp,gas	518.07	J/mol×K	434.56	Calculated Property
Cp,gas	579.52	J/mol×K	515.33	Calculated Property
Cp,gas	633.81	J/mol×K	596.11	Calculated Property
Cp,gas	681.17	J/mol×K	676.89	Calculated Property
Cp,gas	721.80	J/mol×K	757.67	Calculated Property
Cp,gas	755.94	J/mol×K	838.44	Calculated Property
Cp,gas	783.80	J/mol×K	919.22	Calculated Property
Cp,gas	805.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008887; 0.0000686]	Pa×s	[447.31; 718.00]	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			-1.38214e+01
Coefficient B			3.03978e+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.			447.31
Temperature range, max.			718.00
η	0.0008887	Pa×s	447.31	Calculated Property
η	0.0005792	Pa×s	477.39	Calculated Property
η	0.0003971	Pa×s	507.46	Calculated Property
η	0.0002840	Pa×s	537.54	Calculated Property
η	0.0002105	Pa×s	567.62	Calculated Property
η	0.0001608	Pa×s	597.70	Calculated Property
η	0.0001260	Pa×s	627.77	Calculated Property
η	0.0001010	Pa×s	657.85	Calculated Property
η	0.0000825	Pa×s	687.93	Calculated Property
η	0.0000686	Pa×s	718.00	Calculated Property

Similar Compounds

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

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