Chemical Properties of 4-[1-Acetoxy-2-(diacetylamino)ethyl]phenyl acetate

InChI

InChI=1S/C16H19NO6/c1-10(18)17(11(2)19)9-16(23-13(4)21)14-5-7-15(8-6-14)22-12(3)20/h5-8,16H,9H2,1-4H3

InChI Key

WXBPPNDYHGULCD-UHFFFAOYSA-N

Formula

C16H19NO6

SMILES

CC(=O)Oc1ccc(C(CN(C(C)=O)C(C)=O)OC(C)=O)cc1

Molecular Weight¹

321.33

Other Names

• 1-(4-Acetyloxyphenyl)-2-diacetylaminoethanol acetate
• 4-[2-Diacetylamino-1-acetyloxyethyl]phenol acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.47; 764.39]	J/mol×K	[833.52; 1045.66]
Cp,gas	709.47	J/mol×K	833.52	Joback Calculated Property
Cp,gas	721.55	J/mol×K	868.88	Joback Calculated Property
Cp,gas	732.43	J/mol×K	904.23	Joback Calculated Property
Cp,gas	742.13	J/mol×K	939.59	Joback Calculated Property
Cp,gas	750.67	J/mol×K	974.95	Joback Calculated Property
Cp,gas	758.09	J/mol×K	1010.30	Joback Calculated Property
Cp,gas	764.39	J/mol×K	1045.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-[1-Acetoxy-2-(diacetylamino)ethyl]phenyl acetate.

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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