Chemical Properties of Glutaric acid, butyl 3-chlorophenyl ester

InChI

InChI=1S/C15H19ClO4/c1-2-3-10-19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)11-13/h4,6-7,11H,2-3,5,8-10H2,1H3

InChI Key

AQLRVGDYGZAOOE-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CCCCOC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

298.76

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[315.06; 696.12]	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			3.33560e+01
Coefficient B			1.18762e+00
Coefficient C			-5.87560e-04
Coefficient D			6.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.06	J/mol×K	273.00	Calculated Property
Cp,gas	382.75	J/mol×K	353.78	Calculated Property
Cp,gas	443.63	J/mol×K	434.56	Calculated Property
Cp,gas	497.92	J/mol×K	515.33	Calculated Property
Cp,gas	545.80	J/mol×K	596.11	Calculated Property
Cp,gas	587.48	J/mol×K	676.89	Calculated Property
Cp,gas	623.15	J/mol×K	757.67	Calculated Property
Cp,gas	653.02	J/mol×K	838.44	Calculated Property
Cp,gas	677.27	J/mol×K	919.22	Calculated Property
Cp,gas	696.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012254; 0.0001148]	Pa×s	[412.33; 652.06]	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			-1.31453e+01
Coefficient B			2.65576e+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.			412.33
Temperature range, max.			652.06
η	0.0012254	Pa×s	412.33	Calculated Property
η	0.0008290	Pa×s	438.97	Calculated Property
η	0.0005864	Pa×s	465.60	Calculated Property
η	0.0004307	Pa×s	492.24	Calculated Property
η	0.0003265	Pa×s	518.88	Calculated Property
η	0.0002543	Pa×s	545.51	Calculated Property
η	0.0002027	Pa×s	572.15	Calculated Property
η	0.0001649	Pa×s	598.79	Calculated Property
η	0.0001365	Pa×s	625.43	Calculated Property
η	0.0001148	Pa×s	652.06	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3-chlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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