Chemical Properties of OXELADIN

InChI

InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3

InChI Key

IQADUMSPOQKAAO-UHFFFAOYSA-N

Formula

C20H33NO3

SMILES

CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1

Molecular Weight¹

335.49

Other Names

• Benzeneacetic acid, «alpha»,«alpha»-diethyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
• Butyric acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester
• 2-(2-Diethylaminoethoxy)ethyl «alpha»,«alpha»-diethylphenylacetate
• 2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate
• «alpha»,«alpha»-Diethylbenzeneacetic acid 2-(2-(diethylamino)ethoxy)ethyl ester
• Ethanol, 2-(2-(diethylamino)ethoxy)-, 2-ethyl-2-phenylbutyrate
• 2-Ethyl-2-phenylbutyric acid 2-(2-diethylaminoethoxy)ethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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	[418.29; 998.73]	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			-3.34520e+01
Coefficient B			1.95668e+00
Coefficient C			-1.17420e-03
Coefficient D			2.49700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.29	J/mol×K	273.00	Calculated Property
Cp,gas	522.87	J/mol×K	353.78	Calculated Property
Cp,gas	615.59	J/mol×K	434.56	Calculated Property
Cp,gas	697.23	J/mol×K	515.33	Calculated Property
Cp,gas	768.59	J/mol×K	596.11	Calculated Property
Cp,gas	830.45	J/mol×K	676.89	Calculated Property
Cp,gas	883.61	J/mol×K	757.67	Calculated Property
Cp,gas	928.84	J/mol×K	838.44	Calculated Property
Cp,gas	966.95	J/mol×K	919.22	Calculated Property
Cp,gas	998.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to OXELADIN.

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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