Chemical Properties of (2-methylamino-2-oxoethyl) benzoate

(2-methylamino-2-oxoethyl) benzoate

InChI
InChI=1S/C10H11NO3/c1-11-9(12)7-14-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChI Key
ZWAHHEQQTJUTPW-UHFFFAOYSA-N
Formula
C10H11NO3
SMILES
CNC(=O)COC(=O)c1ccccc1
Molecular Weight1
193.20
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 0.6322 Relay (1.0) Calculated Property
ΔfH°gas -415.67 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.76 kJ/mol Joback Calculated Property
ΔvapH° 84.70 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
log10WS -1.72 Aq. Solubility Prediction
logPoct/wat 0.589 Crippen Calculated Property
McVol 146.990 ml/mol McGowan Calculated Property
Pc 3206.41 kPa Joback Calculated Property
Tboil 562.97 K Relay (1.0) Calculated Property
Tc 794.08 K Relay (1.0) Calculated Property
Tfus 384.65 K Aq. Solubility Prediction
Vc 0.533 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [193.81; 450.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.54900e+00
Coefficient B8.68320e-01
Coefficient C-4.86700e-04
Coefficient D7.76600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 193.81 J/mol×K 273.00 Calculated Property
Cp,gas 241.17 J/mol×K 353.78 Calculated Property
Cp,gas 283.25 J/mol×K 434.56 Calculated Property
Cp,gas 320.30 J/mol×K 515.33 Calculated Property
Cp,gas 352.57 J/mol×K 596.11 Calculated Property
Cp,gas 380.30 J/mol×K 676.89 Calculated Property
Cp,gas 403.73 J/mol×K 757.67 Calculated Property
Cp,gas 423.12 J/mol×K 838.44 Calculated Property
Cp,gas 438.70 J/mol×K 919.22 Calculated Property
Cp,gas 450.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to (2-methylamino-2-oxoethyl) 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.