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

InChI

InChI=1S/C11H19ClO3/c1-8(2)7-9(3)15-11(14)6-4-5-10(12)13/h8-9H,4-7H2,1-3H3

InChI Key

YRTJULPGLUWMPF-UHFFFAOYSA-N

Formula

C11H19ClO3

SMILES

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

Molecular Weight¹

234.72

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[268.87; 593.30]	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			3.51840e+01
Coefficient B			9.84660e-01
Coefficient C			-4.88100e-04
Coefficient D			6.15600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.87	J/mol×K	273.00	Calculated Property
Cp,gas	325.17	J/mol×K	353.78	Calculated Property
Cp,gas	375.95	J/mol×K	434.56	Calculated Property
Cp,gas	421.41	J/mol×K	515.33	Calculated Property
Cp,gas	461.75	J/mol×K	596.11	Calculated Property
Cp,gas	497.14	J/mol×K	676.89	Calculated Property
Cp,gas	527.81	J/mol×K	757.67	Calculated Property
Cp,gas	553.92	J/mol×K	838.44	Calculated Property
Cp,gas	575.69	J/mol×K	919.22	Calculated Property
Cp,gas	593.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057079; 0.0002225]	Pa×s	[305.91; 551.48]	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			-1.24526e+01
Coefficient B			2.22907e+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.			305.91
Temperature range, max.			551.48
η	0.0057079	Pa×s	305.91	Calculated Property
η	0.0031429	Pa×s	333.20	Calculated Property
η	0.0018941	Pa×s	360.48	Calculated Property
η	0.0012259	Pa×s	387.77	Calculated Property
η	0.0008401	Pa×s	415.05	Calculated Property
η	0.0006032	Pa×s	442.34	Calculated Property
η	0.0004501	Pa×s	469.62	Calculated Property
η	0.0003468	Pa×s	496.91	Calculated Property
η	0.0002746	Pa×s	524.19	Calculated Property
η	0.0002225	Pa×s	551.48	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 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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