Chemical Properties of Glutaric acid, monochloride, 2,3-dimethylphenyl ester

InChI

InChI=1S/C13H15ClO3/c1-9-5-3-6-11(10(9)2)17-13(16)8-4-7-12(14)15/h3,5-6H,4,7-8H2,1-2H3

InChI Key

NOVYBSOSXXNQJC-UHFFFAOYSA-N

Formula

C13H15ClO3

SMILES

Cc1cccc(OC(=O)CCCC(=O)Cl)c1C

Molecular Weight¹

254.71

• 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.
• 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, 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	[259.77; 570.80]	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			3.14230e+01
Coefficient B			9.64940e-01
Coefficient C			-4.87620e-04
Coefficient D			6.20600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.77	J/mol×K	273.00	Calculated Property
Cp,gas	314.52	J/mol×K	353.78	Calculated Property
Cp,gas	363.75	J/mol×K	434.56	Calculated Property
Cp,gas	407.69	J/mol×K	515.33	Calculated Property
Cp,gas	446.51	J/mol×K	596.11	Calculated Property
Cp,gas	480.41	J/mol×K	676.89	Calculated Property
Cp,gas	509.60	J/mol×K	757.67	Calculated Property
Cp,gas	534.26	J/mol×K	838.44	Calculated Property
Cp,gas	554.60	J/mol×K	919.22	Calculated Property
Cp,gas	570.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012907; 0.0001889]	Pa×s	[409.91; 627.38]	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			-1.21969e+01
Coefficient B			2.27265e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			409.91
Temperature range, max.			627.38
η	0.0012907	Pa×s	409.91	Calculated Property
η	0.0009479	Pa×s	434.07	Calculated Property
η	0.0007192	Pa×s	458.24	Calculated Property
η	0.0005610	Pa×s	482.40	Calculated Property
η	0.0004481	Pa×s	506.56	Calculated Property
η	0.0003653	Pa×s	530.73	Calculated Property
η	0.0003032	Pa×s	554.89	Calculated Property
η	0.0002556	Pa×s	579.05	Calculated Property
η	0.0002184	Pa×s	603.21	Calculated Property
η	0.0001889	Pa×s	627.38	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 2,3-dimethylphenyl 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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