Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 1-naphthyl ester

InChI

InChI=1S/C20H22O4/c1-15(2)13-14-23-19(21)11-6-12-20(22)24-18-10-5-8-16-7-3-4-9-17(16)18/h3-5,7-10,13H,6,11-12,14H2,1-2H3

InChI Key

UKJAAQDOLBDUKV-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1cccc2ccccc12

Molecular Weight¹

326.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.86	kJ/mol	Joback Calculated Property
IE	7.81	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.425		Crippen Calculated Property
McVol	260.020	ml/mol	McGowan Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		NIST
Tfus	325.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[352.88; 824.16]	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			-2.93960e+01
Coefficient B			1.67204e+00
Coefficient C			-1.06198e-03
Coefficient D			2.43500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.88	J/mol×K	273.00	Calculated Property
Cp,gas	440.00	J/mol×K	353.78	Calculated Property
Cp,gas	516.64	J/mol×K	434.56	Calculated Property
Cp,gas	583.56	J/mol×K	515.33	Calculated Property
Cp,gas	641.53	J/mol×K	596.11	Calculated Property
Cp,gas	691.33	J/mol×K	676.89	Calculated Property
Cp,gas	733.72	J/mol×K	757.67	Calculated Property
Cp,gas	769.48	J/mol×K	838.44	Calculated Property
Cp,gas	799.37	J/mol×K	919.22	Calculated Property
Cp,gas	824.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 1-naphthyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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