Chemical Properties of Glutaric acid, monochloride, 2-methoxyphenyl ester

InChI

InChI=1S/C12H13ClO4/c1-16-9-5-2-3-6-10(9)17-12(15)8-4-7-11(13)14/h2-3,5-6H,4,7-8H2,1H3

InChI Key

NWXUPWYZJYXFIQ-UHFFFAOYSA-N

Formula

C12H13ClO4

SMILES

COc1ccccc1OC(=O)CCCC(=O)Cl

Molecular Weight¹

256.68

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[251.41; 540.75]	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			4.35330e+01
Coefficient B			8.66220e-01
Coefficient C			-3.89260e-04
Coefficient D			2.02600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.41	J/mol×K	273.00	Calculated Property
Cp,gas	302.16	J/mol×K	353.78	Calculated Property
Cp,gas	348.11	J/mol×K	434.56	Calculated Property
Cp,gas	389.32	J/mol×K	515.33	Calculated Property
Cp,gas	425.87	J/mol×K	596.11	Calculated Property
Cp,gas	457.80	J/mol×K	676.89	Calculated Property
Cp,gas	485.19	J/mol×K	757.67	Calculated Property
Cp,gas	508.11	J/mol×K	838.44	Calculated Property
Cp,gas	526.61	J/mol×K	919.22	Calculated Property
Cp,gas	540.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012177; 0.0001667]	Pa×s	[408.35; 623.69]	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			-1.24702e+01
Coefficient B			2.35184e+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.			408.35
Temperature range, max.			623.69
η	0.0012177	Pa×s	408.35	Calculated Property
η	0.0008853	Pa×s	432.28	Calculated Property
η	0.0006655	Pa×s	456.20	Calculated Property
η	0.0005148	Pa×s	480.13	Calculated Property
η	0.0004080	Pa×s	504.06	Calculated Property
η	0.0003302	Pa×s	527.98	Calculated Property
η	0.0002722	Pa×s	551.91	Calculated Property
η	0.0002281	Pa×s	575.84	Calculated Property
η	0.0001938	Pa×s	599.76	Calculated Property
η	0.0001667	Pa×s	623.69	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 2-methoxyphenyl 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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