Chemical Properties of Glutaric acid, naphth-2-ylmethyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C23H30O4/c1-16(2)23(17(3)4)27-22(25)11-7-10-21(24)26-15-18-12-13-19-8-5-6-9-20(19)14-18/h5-6,8-9,12-14,16-17,23H,7,10-11,15H2,1-4H3

InChI Key

YEJOQBVAQRJAPS-UHFFFAOYSA-N

Formula

C23H30O4

SMILES

CC(C)C(OC(=O)CCCC(=O)OCc1ccc2ccccc2c1)C(C)C

Molecular Weight¹

370.48

• 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°	44.17	kJ/mol	Joback Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	306.590	ml/mol	McGowan Calculated Property
Inp	[2844.00; 2844.00]
Inp	2844.00		NIST
Inp	2844.00		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	[429.43; 1011.40]	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			-2.32960e+01
Coefficient B			1.95488e+00
Coefficient C			-1.14868e-03
Coefficient D			2.28500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.43	J/mol×K	273.00	Calculated Property
Cp,gas	534.65	J/mol×K	353.78	Calculated Property
Cp,gas	628.04	J/mol×K	434.56	Calculated Property
Cp,gas	710.34	J/mol×K	515.33	Calculated Property
Cp,gas	782.25	J/mol×K	596.11	Calculated Property
Cp,gas	844.51	J/mol×K	676.89	Calculated Property
Cp,gas	897.83	J/mol×K	757.67	Calculated Property
Cp,gas	942.93	J/mol×K	838.44	Calculated Property
Cp,gas	980.55	J/mol×K	919.22	Calculated Property
Cp,gas	1011.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010346; 0.0000701]	Pa×s	[460.27; 774.51]	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			-1.35082e+01
Coefficient B			3.05362e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			460.27
Temperature range, max.			774.51
η	0.0010346	Pa×s	460.27	Calculated Property
η	0.0006480	Pa×s	495.19	Calculated Property
η	0.0004317	Pa×s	530.10	Calculated Property
η	0.0003024	Pa×s	565.02	Calculated Property
η	0.0002208	Pa×s	599.93	Calculated Property
η	0.0001669	Pa×s	634.85	Calculated Property
η	0.0001299	Pa×s	669.76	Calculated Property
η	0.0001036	Pa×s	704.68	Calculated Property
η	0.0000844	Pa×s	739.60	Calculated Property
η	0.0000701	Pa×s	774.51	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2,4-dimethylpent-3-yl 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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