Chemical Properties of [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate

[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate

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InChI
InChI=1S/C13H17NO6/c15-7-13(8-16,9-17)14-11(18)6-20-12(19)10-4-2-1-3-5-10/h1-5,15-17H,6-9H2,(H,14,18)
InChI Key
MSMHOCZOEWMZOH-UHFFFAOYSA-N
Formula
C13H17NO6
SMILES
O=C(COC(=O)c1ccccc1)NC(CO)(CO)CO
Molecular Weight1
283.28
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Physical Properties

Property Value Unit Source
ΔfG° -510.08 kJ/mol Joback Calculated Property
ΔfH°gas -844.47 kJ/mol Joback Calculated Property
ΔfusH° 37.80 kJ/mol Joback Calculated Property
ΔvapH° 117.89 kJ/mol Joback Calculated Property
log10WS -1.27 Aq. Sol...
logPoct/wat -1.325 Crippen Calculated Property
McVol 206.870 ml/mol McGowan Calculated Property
Pc 3388.08 kPa Joback Calculated Property
Tboil 977.16 K Joback Calculated Property
Tc 1196.32 K Joback Calculated Property
Tfus 399.65 K Aq. Sol...
Vc 0.766 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [657.40; 695.96] J/mol×K [977.16; 1196.32] Show Hide
Cp,gas 657.40 J/mol×K 977.16 Joback Calculated Property
Cp,gas 665.26 J/mol×K 1013.69 Joback Calculated Property
Cp,gas 672.47 J/mol×K 1050.21 Joback Calculated Property
Cp,gas 679.08 J/mol×K 1086.74 Joback Calculated Property
Cp,gas 685.16 J/mol×K 1123.27 Joback Calculated Property
Cp,gas 690.77 J/mol×K 1159.79 Joback Calculated Property
Cp,gas 695.96 J/mol×K 1196.32 Joback Calculated Property

Similar Compounds

[2-(tert-butylamino)-2-oxoethyl] benzoate. [2-oxo-2-(propan-2-ylamino)ethyl] benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. 2-(Benzoyloxy)-N-butylacetamide. (2-oxo-2-propylaminoethyl) benzoate. (2-ethylamino-2-oxoethyl) benzoate. [2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl] benzoate. (2-acetamido-2-oxoethyl) benzoate. [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] benzoate. [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-carboxy-HO-alkyl-), ethylated. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (carboxy-HO-alkyl-), ethylated. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate.

Find more compounds similar to [2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl] benzoate.

Sources

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