Chemical Properties of [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate

[2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate

InChI
InChI=1S/C15H21NO5/c1-11(17)8-16(9-12(2)18)14(19)10-21-15(20)13-6-4-3-5-7-13/h3-7,11-12,17-18H,8-10H2,1-2H3
InChI Key
LDCFNNYCIXKMNJ-UHFFFAOYSA-N
Formula
C15H21NO5
SMILES
CC(O)CN(CC(C)O)C(=O)COC(=O)c1ccccc1
Molecular Weight1
295.33
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 0.9794 Relay (1.0) Calculated Property
ΔfH°gas -846.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.18 kJ/mol Joback Calculated Property
ΔvapH° 113.72 kJ/mol Relay (1.0) Calculated Property
IE 8.86 eV Relay (1.0) Calculated Property
log10WS -1.18 Aq. Solubility Prediction
logPoct/wat 0.434 Crippen Calculated Property
McVol 229.180 ml/mol McGowan Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Tboil 634.75 K Relay (1.0) Calculated Property
Tc 859.96 K Relay (1.0) Calculated Property
Tfus 378.65 K Aq. Solubility Prediction
Vc 0.832 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 [717.44; 769.77] J/mol×K [895.36; 1099.76] Show Hide
Cp,gas 717.44 J/mol×K 895.36 Joback Calculated Property
Cp,gas 728.14 J/mol×K 929.43 Joback Calculated Property
Cp,gas 737.99 J/mol×K 963.49 Joback Calculated Property
Cp,gas 747.03 J/mol×K 997.56 Joback Calculated Property
Cp,gas 755.32 J/mol×K 1031.62 Joback Calculated Property
Cp,gas 762.89 J/mol×K 1065.69 Joback Calculated Property
Cp,gas 769.77 J/mol×K 1099.76 Joback Calculated Property

Similar Compounds

[2-(dipropylamino)-2-oxoethyl] benzoate. [2-(bis(2-methylpropyl)amino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. [2-(azetidin-1-yl)-2-oxoethyl] benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. (1-diethylamino-1-oxopropan-2-yl) benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate.

Find more compounds similar to [2-(bis(2-hydroxypropyl)amino)-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.