Chemical Properties of [2-oxo-2-(propan-2-ylamino)ethyl] benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] benzoate

InChI
InChI=1S/C12H15NO3/c1-9(2)13-11(14)8-16-12(15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChI Key
FUWATACATASMHP-UHFFFAOYSA-N
Formula
C12H15NO3
SMILES
CC(C)NC(=O)COC(=O)c1ccccc1
Molecular Weight1
221.26
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6627 Relay (1.0) Calculated Property
ΔfH°gas -466.57 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.42 kJ/mol Joback Calculated Property
ΔvapH° 84.86 kJ/mol Relay (1.0) Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
log10WS -2.73 Aq. Solubility Prediction
logPoct/wat 1.368 Crippen Calculated Property
McVol 175.170 ml/mol McGowan Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Tboil 565.15 K Relay (1.0) Calculated Property
Tc 792.75 K Relay (1.0) Calculated Property
Tfus 402.65 K Aq. Solubility Prediction
Vc 0.639 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [459.66; 529.01] J/mol×K [662.66; 877.40] Show Hide
Cp,gas 459.66 J/mol×K 662.66 Joback Calculated Property
Cp,gas 473.60 J/mol×K 698.45 Joback Calculated Property
Cp,gas 486.56 J/mol×K 734.24 Joback Calculated Property
Cp,gas 498.55 J/mol×K 770.03 Joback Calculated Property
Cp,gas 509.60 J/mol×K 805.82 Joback Calculated Property
Cp,gas 519.75 J/mol×K 841.61 Joback Calculated Property
Cp,gas 529.01 J/mol×K 877.40 Joback Calculated Property

Similar Compounds

(2-ethylamino-2-oxoethyl) benzoate. [2-(tert-butylamino)-2-oxoethyl] benzoate. (2-oxo-2-propylaminoethyl) benzoate. [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate. [2-(di(propan-2-yl)amino)-2-oxoethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. (2-acetamido-2-oxoethyl) benzoate. (2-methylamino-2-oxoethyl) benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] benzoate. [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate.

Find more compounds similar to [2-oxo-2-(propan-2-ylamino)ethyl] benzoate.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.