Chemical Properties of Glutaric acid, 3-chlorophenyl (2-naphthyl)methyl ester

InChI

InChI=1S/C22H19ClO4/c23-19-7-3-8-20(14-19)27-22(25)10-4-9-21(24)26-15-16-11-12-17-5-1-2-6-18(17)13-16/h1-3,5-8,11-14H,4,9-10,15H2

InChI Key

HKADCJOEKOFVBN-UHFFFAOYSA-N

Formula

C22H19ClO4

SMILES

O=C(CCCC(=O)Oc1cccc(Cl)c1)OCc1ccc2ccccc2c1

Molecular Weight¹

382.84

• 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).
• 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°	49.99	kJ/mol	Joback Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
logPoct/wat	5.312		Crippen Calculated Property
McVol	280.980	ml/mol	McGowan Calculated Property
Inp	[3235.00; 3235.00]
Inp	3235.00		NIST
Inp	3235.00		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, 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	[367.85; 844.90]	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			-2.40560e+01
Coefficient B			1.71050e+00
Coefficient C			-1.06924e-03
Coefficient D			2.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.85	J/mol×K	273.00	Calculated Property
Cp,gas	457.34	J/mol×K	353.78	Calculated Property
Cp,gas	536.02	J/mol×K	434.56	Calculated Property
Cp,gas	604.63	J/mol×K	515.33	Calculated Property
Cp,gas	663.87	J/mol×K	596.11	Calculated Property
Cp,gas	714.48	J/mol×K	676.89	Calculated Property
Cp,gas	757.16	J/mol×K	757.67	Calculated Property
Cp,gas	792.65	J/mol×K	838.44	Calculated Property
Cp,gas	821.66	J/mol×K	919.22	Calculated Property
Cp,gas	844.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004860; 0.0000897]	Pa×s	[562.86; 824.19]	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			-1.29584e+01
Coefficient B			2.99948e+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.			562.86
Temperature range, max.			824.19
η	0.0004860	Pa×s	562.86	Calculated Property
η	0.0003742	Pa×s	591.90	Calculated Property
η	0.0002952	Pa×s	620.93	Calculated Property
η	0.0002379	Pa×s	649.97	Calculated Property
η	0.0001953	Pa×s	679.01	Calculated Property
η	0.0001629	Pa×s	708.04	Calculated Property
η	0.0001379	Pa×s	737.08	Calculated Property
η	0.0001182	Pa×s	766.11	Calculated Property
η	0.0001024	Pa×s	795.15	Calculated Property
η	0.0000897	Pa×s	824.19	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl (2-naphthyl)methyl 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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