- InChI
- InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
- InChI Key
- JGOAIQNSOGZNBX-UHFFFAOYSA-N
- Formula
- C20H25NO2
- SMILES
-
CCN(CC)CCOC(=O)C(c1ccccc1)c1cc
ccc1 - Molecular Weight1
- 311.42
- CAS
- 64-95-9
- Other Names
-
- Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester
- Adiphenin
- Adiphenine
- 2-Diethylaminoethyl diphenylacetate
- 2-Diethylaminoethylester kyseliny difenyloctove
- Difacil
- Diphacil
- Diphacyl
- Diphenylacetic acid diethylaminoethyl ester
- Diphenylacetic acid, 2-(diethylamino)ethyl ester
- Diphenylacetyldiethylaminoethanol
- Patrovine
- Spasmolytin
- Transentine
- Tranzetil
- Trasentin
- Trasentine
- Trazentyna
- Vegantine
- Wegantyna
- SKF 962A
- 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° | 216.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.704 | Crippen Calculated Property | |
| McVol | 262.560 | ml/mol | McGowan Calculated Property |
| Pc | 1701.90 | kPa | Joback Calculated Property |
| Inp | [2186.00; 2250.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2186.00 | NIST | |
| Inp | Outlier 2250.00 | NIST | |
| Inp | 2186.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 798.65 | K | Joback Calculated Property |
| Tc | 1018.16 | K | Joback Calculated Property |
| Tfus | 457.63 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.75; 865.73] | J/mol×K | [798.65; 1018.16] |
|
| Cp,gas | 780.75 | J/mol×K | 798.65 | Joback Calculated Property |
| Cp,gas | 797.91 | J/mol×K | 835.23 | Joback Calculated Property |
| Cp,gas | 813.77 | J/mol×K | 871.82 | Joback Calculated Property |
| Cp,gas | 828.41 | J/mol×K | 908.40 | Joback Calculated Property |
| Cp,gas | 841.90 | J/mol×K | 944.99 | Joback Calculated Property |
| Cp,gas | 854.31 | J/mol×K | 981.57 | Joback Calculated Property |
| Cp,gas | 865.73 | J/mol×K | 1018.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-phenyl-, 2-(diethylamino)ethyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.