Chemical Properties of Glutaric acid, monochloride, 3-ethylphenyl ester

InChI

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

InChI Key

BQSKDKVGTCFPBN-UHFFFAOYSA-N

Formula

C13H15ClO3

SMILES

CCc1cccc(OC(=O)CCCC(=O)Cl)c1

Molecular Weight¹

254.71

• 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).
• 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 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	[257.22; 573.84]	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			1.71240e+01
Coefficient B			1.02442e+00
Coefficient C			-5.54660e-04
Coefficient D			8.69600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.22	J/mol×K	273.00	Calculated Property
Cp,gas	313.97	J/mol×K	353.78	Calculated Property
Cp,gas	364.69	J/mol×K	434.56	Calculated Property
Cp,gas	409.64	J/mol×K	515.33	Calculated Property
Cp,gas	449.12	J/mol×K	596.11	Calculated Property
Cp,gas	483.38	J/mol×K	676.89	Calculated Property
Cp,gas	512.71	J/mol×K	757.67	Calculated Property
Cp,gas	537.38	J/mol×K	838.44	Calculated Property
Cp,gas	557.67	J/mol×K	919.22	Calculated Property
Cp,gas	573.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015917; 0.0001911]	Pa×s	[397.39; 623.30]	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			-1.22909e+01
Coefficient B			2.32391e+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.			397.39
Temperature range, max.			623.30
η	0.0015917	Pa×s	397.39	Calculated Property
η	0.0011246	Pa×s	422.49	Calculated Property
η	0.0008261	Pa×s	447.59	Calculated Property
η	0.0006270	Pa×s	472.69	Calculated Property
η	0.0004893	Pa×s	497.80	Calculated Property
η	0.0003911	Pa×s	522.90	Calculated Property
η	0.0003191	Pa×s	548.00	Calculated Property
η	0.0002650	Pa×s	573.10	Calculated Property
η	0.0002235	Pa×s	598.20	Calculated Property
η	0.0001911	Pa×s	623.30	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monochloride, 3-ethylphenyl 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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