Chemical Properties of Glutaric acid, 2-formyl-4-chlorophenyl propyl ester

InChI

InChI=1S/C15H17ClO5/c1-2-8-20-14(18)4-3-5-15(19)21-13-7-6-12(16)9-11(13)10-17/h6-7,9-10H,2-5,8H2,1H3

InChI Key

SZMCCYAMSFSGPN-UHFFFAOYSA-N

Formula

C15H17ClO5

SMILES

CCCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1C=O

Molecular Weight¹

312.75

Other Names

• Glutaric acid, 2-acetyl-4-chlorophenyl propyl ester

• 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).
• 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, 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	[322.52; 683.86]	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			5.90550e+01
Coefficient B			1.10262e+00
Coefficient C			-5.13520e-04
Coefficient D			3.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.52	J/mol×K	273.00	Calculated Property
Cp,gas	386.45	J/mol×K	353.78	Calculated Property
Cp,gas	444.16	J/mol×K	434.56	Calculated Property
Cp,gas	495.78	J/mol×K	515.33	Calculated Property
Cp,gas	541.42	J/mol×K	596.11	Calculated Property
Cp,gas	581.19	J/mol×K	676.89	Calculated Property
Cp,gas	615.21	J/mol×K	757.67	Calculated Property
Cp,gas	643.58	J/mol×K	838.44	Calculated Property
Cp,gas	666.43	J/mol×K	919.22	Calculated Property
Cp,gas	683.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009045; 0.0001285]	Pa×s	[466.85; 692.34]	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			-1.29996e+01
Coefficient B			2.79713e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.85
Temperature range, max.			692.34
η	0.0009045	Pa×s	466.85	Calculated Property
η	0.0006666	Pa×s	491.90	Calculated Property
η	0.0005061	Pa×s	516.96	Calculated Property
η	0.0003941	Pa×s	542.01	Calculated Property
η	0.0003137	Pa×s	567.07	Calculated Property
η	0.0002546	Pa×s	592.12	Calculated Property
η	0.0002102	Pa×s	617.17	Calculated Property
η	0.0001761	Pa×s	642.23	Calculated Property
η	0.0001496	Pa×s	667.28	Calculated Property
η	0.0001285	Pa×s	692.34	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-formyl-4-chlorophenyl propyl 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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