Chemical Properties of Glutaric acid, naphth-2-ylmethyl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C23H21ClO4/c1-16-9-12-20(24)21(13-16)28-23(26)8-4-7-22(25)27-15-17-10-11-18-5-2-3-6-19(18)14-17/h2-3,5-6,9-14H,4,7-8,15H2,1H3

InChI Key

RYMIZFMTZULDMM-UHFFFAOYSA-N

Formula

C23H21ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCC(=O)OCc2ccc3ccccc3c2)c1

Molecular Weight¹

396.86

• 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).
• 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°	52.20	kJ/mol	Joback Calculated Property
logPoct/wat	5.621		Crippen Calculated Property
McVol	295.070	ml/mol	McGowan Calculated Property
Inp	[3352.00; 3352.00]
Inp	3352.00		NIST
Inp	3352.00		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, 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	[391.62; 893.45]	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			-1.06660e+01
Coefficient B			1.74602e+00
Coefficient C			-1.05660e-03
Coefficient D			2.14700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.62	J/mol×K	273.00	Calculated Property
Cp,gas	484.30	J/mol×K	353.78	Calculated Property
Cp,gas	566.17	J/mol×K	434.56	Calculated Property
Cp,gas	637.90	J/mol×K	515.33	Calculated Property
Cp,gas	700.17	J/mol×K	596.11	Calculated Property
Cp,gas	753.67	J/mol×K	676.89	Calculated Property
Cp,gas	799.07	J/mol×K	757.67	Calculated Property
Cp,gas	837.04	J/mol×K	838.44	Calculated Property
Cp,gas	868.28	J/mol×K	919.22	Calculated Property
Cp,gas	893.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003931; 0.0000812]	Pa×s	[586.65; 843.15]	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			-1.30274e+01
Coefficient B			3.04238e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			586.65
Temperature range, max.			843.15
η	0.0003931	Pa×s	586.65	Calculated Property
η	0.0003092	Pa×s	615.15	Calculated Property
η	0.0002484	Pa×s	643.65	Calculated Property
η	0.0002033	Pa×s	672.15	Calculated Property
η	0.0001691	Pa×s	700.65	Calculated Property
η	0.0001427	Pa×s	729.15	Calculated Property
η	0.0001220	Pa×s	757.65	Calculated Property
η	0.0001054	Pa×s	786.15	Calculated Property
η	0.0000921	Pa×s	814.65	Calculated Property
η	0.0000812	Pa×s	843.15	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2-chloro-5-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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