- InChI
- InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
- InChI Key
- IVQOFBKHQCTVQV-UHFFFAOYSA-N
- Formula
- C20H25NO3
- SMILES
-
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c
1ccccc1 - Molecular Weight1
- 327.42
- CAS
- 302-40-9
- Other Names
-
- Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-, 2-(diethylamino)ethyl ester
- Benzilic acid, 2-(diethylamino)ethyl ester
- Benactyzin
- Benactizina
- Benzilic acid «beta»-diethylaminoethyl ester
- Diazil
- Diethylaminoethyl benzilate
- «beta»-Diethylaminoethyl benzilate
- 2-(Diethylamino)ethyl benzilate
- 2-(Diethylamino)ethyl diphenylglycolate
- Diphenylglycolic acid 2-(diethylamino)ethyl ester
- «alpha»-Hydroxy-«alpha»-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester
- 2-Diethylaminoethyl benizilate
- Diethyl(2-hydroxyethyl)amine benzilate
- Benactizine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 85.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.808 | Crippen Calculated Property | |
| McVol | 268.430 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2285.00] |
|
|
| Inp | 2249.00 | NIST | |
| Inp | 2249.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2248.00 | NIST | |
| Inp | 2250.00 | NIST | |
| Inp | Outlier 2285.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Inp | 2248.00 | NIST | |
| Inp | 2248.00 | NIST | |
| Tboil | 888.04 | K | Joback Calculated Property |
| Tc | 1105.29 | K | Joback Calculated Property |
| Tfus | 535.87 | K | Joback Calculated Property |
| Vc | 0.990 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.21; 909.80] | J/mol×K | [888.04; 1105.29] |
|
| Cp,gas | 840.21 | J/mol×K | 888.04 | Joback Calculated Property |
| Cp,gas | 854.04 | J/mol×K | 924.25 | Joback Calculated Property |
| Cp,gas | 866.85 | J/mol×K | 960.46 | Joback Calculated Property |
| Cp,gas | 878.73 | J/mol×K | 996.67 | Joback Calculated Property |
| Cp,gas | 889.79 | J/mol×K | 1032.88 | Joback Calculated Property |
| Cp,gas | 900.12 | J/mol×K | 1069.08 | Joback Calculated Property |
| Cp,gas | 909.80 | J/mol×K | 1105.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benactyzine.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.