- InChI
- InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
- InChI Key
- BQJODPIMMWWMFC-UHFFFAOYSA-N
- Formula
- C12H17NO3
- SMILES
- CCN(CC)C(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 223.27
- CAS
- 304-84-7
- Other Names
-
- Benzamide, N,N-diethyl-4-hydroxy-3-methoxy-
- Vanillamide, N,N-diethyl-
- Analepticon
- Corivanil
- Diethamivan
- Diethylvanillamide
- Emivan
- Etamivan
- Etamivanum
- N,N-Diethylvanillamide
- Romecor
- Sevanil
- Simaron
- Vandid
- Vanillic acid diethylamide
- Vanillic acid N,N-diethylamide
- Ventilone
- 3-Methoxy-4-hydroxybenzoic acid diethylamide
- Cardiovamil
- Cardiovanil
- Diethylamide de vanillique
- Sevinal
- Vanillinsaeure-diaethylamid
- NSC-406087
- 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° | -124.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 179.470 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1885.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Inp | 1894.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 674.97 | K | Joback Calculated Property |
| Tc | 888.60 | K | Joback Calculated Property |
| Tfus | 480.29 | K | Joback Calculated Property |
| Vc | 0.608 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.91; 555.82] | J/mol×K | [674.97; 888.60] |
|
| Cp,gas | 484.91 | J/mol×K | 674.97 | Joback Calculated Property |
| Cp,gas | 498.56 | J/mol×K | 710.57 | Joback Calculated Property |
| Cp,gas | 511.39 | J/mol×K | 746.18 | Joback Calculated Property |
| Cp,gas | 523.47 | J/mol×K | 781.78 | Joback Calculated Property |
| Cp,gas | 534.86 | J/mol×K | 817.39 | Joback Calculated Property |
| Cp,gas | 545.62 | J/mol×K | 852.99 | Joback Calculated Property |
| Cp,gas | 555.82 | J/mol×K | 888.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethamivan.
Sources
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