- InChI
- InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)
- InChI Key
- VTUSIVBDOCDNHS-UHFFFAOYSA-N
- Formula
- C17H28N2O
- SMILES
-
CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1
C - Molecular Weight1
- 276.42
- CAS
- 36637-18-0
- Other Names
-
- Butanamide, N-(2,6-dimethylphenyl)-2-(ethylpropylamino)-, (.+/-.)-
- N-(2,6-Dimethylphenyl)-2-(ethylpropylamino)butanamide
- Duranest
- 2-(Ethylpropylamino)-2',6'-butyroxylidide
- (.+/-.)-2-(Ethylpropylamino)-2',6'-butyroxylidide
- 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° | 254.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.752 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Inp | [2024.00; 2030.00] |
|
|
| Inp | 2024.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 741.04 | K | Joback Calculated Property |
| Tc | 939.75 | K | Joback Calculated Property |
| Tfus | 452.87 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.02; 815.32] | J/mol×K | [741.04; 939.75] |
|
| Cp,gas | 726.02 | J/mol×K | 741.04 | Joback Calculated Property |
| Cp,gas | 743.32 | J/mol×K | 774.16 | Joback Calculated Property |
| Cp,gas | 759.59 | J/mol×K | 807.28 | Joback Calculated Property |
| Cp,gas | 774.88 | J/mol×K | 840.40 | Joback Calculated Property |
| Cp,gas | 789.24 | J/mol×K | 873.51 | Joback Calculated Property |
| Cp,gas | 802.70 | J/mol×K | 906.63 | Joback Calculated Property |
| Cp,gas | 815.32 | J/mol×K | 939.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Etidocaine.
Sources
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