Chemical Properties of Glutaric acid, 3-chlorophenyl 2-methylphenyl ester

InChI

InChI=1S/C18H17ClO4/c1-13-6-2-3-9-16(13)23-18(21)11-5-10-17(20)22-15-8-4-7-14(19)12-15/h2-4,6-9,12H,5,10-11H2,1H3

InChI Key

UWPYOYFNRTZRDU-UHFFFAOYSA-N

Formula

C18H17ClO4

SMILES

Cc1ccccc1OC(=O)CCCC(=O)Oc1cccc(Cl)c1

Molecular Weight¹

332.78

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.61	kJ/mol	Joback Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.330		Crippen Calculated Property
McVol	244.080	ml/mol	McGowan Calculated Property
Inp	[2567.00; 2567.00]
Inp	2567.00		NIST
Inp	2567.00		NIST
Tboil	654.56	K	Relay (1.0) Calculated Property

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 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	[324.00; 729.32]	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			1.10230e+01
Coefficient B			1.33422e+00
Coefficient C			-7.14920e-04
Coefficient D			9.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.00	J/mol×K	273.00	Calculated Property
Cp,gas	397.95	J/mol×K	353.78	Calculated Property
Cp,gas	463.94	J/mol×K	434.56	Calculated Property
Cp,gas	522.28	J/mol×K	515.33	Calculated Property
Cp,gas	573.29	J/mol×K	596.11	Calculated Property
Cp,gas	617.28	J/mol×K	676.89	Calculated Property
Cp,gas	654.57	J/mol×K	757.67	Calculated Property
Cp,gas	685.46	J/mol×K	838.44	Calculated Property
Cp,gas	710.28	J/mol×K	919.22	Calculated Property
Cp,gas	729.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006088; 0.0000764]	Pa×s	[485.08; 740.22]	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			-1.34245e+01
Coefficient B			2.92040e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			485.08
Temperature range, max.			740.22
η	0.0006088	Pa×s	485.08	Calculated Property
η	0.0004366	Pa×s	513.43	Calculated Property
η	0.0003242	Pa×s	541.78	Calculated Property
η	0.0002480	Pa×s	570.13	Calculated Property
η	0.0001946	Pa×s	598.47	Calculated Property
η	0.0001560	Pa×s	626.82	Calculated Property
η	0.0001275	Pa×s	655.17	Calculated Property
η	0.0001060	Pa×s	683.52	Calculated Property
η	0.0000894	Pa×s	711.87	Calculated Property
η	0.0000764	Pa×s	740.22	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-methylphenyl 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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