Chemical Properties of Benzoic acid, 2-(dimethylamino)ethyl ester (CAS 2208-05-1)

Benzoic acid, 2-(dimethylamino)ethyl ester

InChI
InChI=1S/C11H15NO2/c1-12(2)8-9-14-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key
KJSGODDTWRXQRH-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CN(C)CCOC(=O)c1ccccc1
Molecular Weight1
193.24
CAS
2208-05-1
Other Names
  • 2-(Dimethylaminoethyl)benzoate
  • Quantacure DMB
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Physical Properties

Property Value Unit Source
ω 0.5729 Relay (1.0) Calculated Property
Δfgas -252.20 kJ/mol Relay (1.0) Calculated Property
Δfus 25.68 kJ/mol Joback Calculated Property
Δvap 72.99 kJ/mol Relay (1.0) Calculated Property
IE 8.48 eV Relay (1.0) Calculated Property
log10WS -1.43 Relay (1.0) Calculated Property
logPoct/wat 1.405 Crippen Calculated Property
McVol 159.510 ml/mol McGowan Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Tboil 540.07 K Relay (1.0) Calculated Property
Tc 733.55 K Relay (1.0) Calculated Property
Tfus 286.25 K Relay (1.0) Calculated Property
Vc 0.593 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [376.71; 455.82] J/mol×K [548.62; 752.49] Show Hide
Cp,gas 376.71 J/mol×K 548.62 Joback Calculated Property
Cp,gas 392.13 J/mol×K 582.60 Joback Calculated Property
Cp,gas 406.62 J/mol×K 616.58 Joback Calculated Property
Cp,gas 420.20 J/mol×K 650.56 Joback Calculated Property
Cp,gas 432.91 J/mol×K 684.53 Joback Calculated Property
Cp,gas 444.78 J/mol×K 718.51 Joback Calculated Property
Cp,gas 455.82 J/mol×K 752.49 Joback Calculated Property

Similar Compounds

Procaine. (2-dimethylamino-2-oxoethyl) benzoate. 6-Fluoro-3-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester. parethoxycaine. 2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester. [2-(bis(2-methoxyethyl)amino)-2-oxoethyl] benzoate. [2-(2-hydroxyethyl-methylamino)-2-oxoethyl] benzoate. (2-diethylamino-2-oxoethyl) benzoate. (2-morpholin-4-yl-2-oxoethyl) benzoate. [2-(bis(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. [2-(ethyl-(2-hydroxyethyl)amino)-2-oxoethyl] benzoate. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-dimethylaminoethyl ester. Acetylprocaine. NICAMETATE. ETHYL BENZOATE.

Find more compounds similar to Benzoic acid, 2-(dimethylamino)ethyl ester.

Sources

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