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

InChI

InChI=1S/C19H19ClO4/c1-13-6-3-9-17(14(13)2)24-19(22)11-5-10-18(21)23-16-8-4-7-15(20)12-16/h3-4,6-9,12H,5,10-11H2,1-2H3

InChI Key

KFCLFLTXRNVAAU-UHFFFAOYSA-N

Formula

C19H19ClO4

SMILES

Cc1cccc(OC(=O)CCCC(=O)Oc2cccc(Cl)c2)c1C

Molecular Weight¹

346.81

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.82	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.638		Crippen Calculated Property
McVol	258.170	ml/mol	McGowan Calculated Property
Inp	[2713.00; 2713.00]
Inp	2713.00		NIST
Inp	2713.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[347.76; 777.87]	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			2.44130e+01
Coefficient B			1.36974e+00
Coefficient C			-7.02280e-04
Coefficient D			8.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.76	J/mol×K	273.00	Calculated Property
Cp,gas	424.91	J/mol×K	353.78	Calculated Property
Cp,gas	494.08	J/mol×K	434.56	Calculated Property
Cp,gas	555.55	J/mol×K	515.33	Calculated Property
Cp,gas	609.59	J/mol×K	596.11	Calculated Property
Cp,gas	656.48	J/mol×K	676.89	Calculated Property
Cp,gas	696.47	J/mol×K	757.67	Calculated Property
Cp,gas	729.86	J/mol×K	838.44	Calculated Property
Cp,gas	756.90	J/mol×K	919.22	Calculated Property
Cp,gas	777.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004690; 0.0000690]	Pa×s	[508.87; 758.38]	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			-1.34882e+01
Coefficient B			2.96330e+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.			508.87
Temperature range, max.			758.38
η	0.0004690	Pa×s	508.87	Calculated Property
η	0.0003471	Pa×s	536.59	Calculated Property
η	0.0002647	Pa×s	564.32	Calculated Property
η	0.0002070	Pa×s	592.04	Calculated Property
η	0.0001654	Pa×s	619.76	Calculated Property
η	0.0001348	Pa×s	647.48	Calculated Property
η	0.0001117	Pa×s	675.21	Calculated Property
η	0.0000940	Pa×s	702.93	Calculated Property
η	0.0000801	Pa×s	730.65	Calculated Property
η	0.0000690	Pa×s	758.38	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 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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