- InChI
- InChI=1S/C21H41NO/c1-5-7-9-11-13-15-17-22(21(23)19-20(3)4)18-16-14-12-10-8-6-2/h19H,5-18H2,1-4H3
- InChI Key
- UTDLCLJMCKSDLU-UHFFFAOYSA-N
- Formula
- C21H41NO
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)C=C(C)
C - Molecular Weight1
- 323.56
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9138 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.502 | Crippen Calculated Property | |
| McVol | 314.000 | ml/mol | McGowan Calculated Property |
| Pc | 1029.92 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 608.59 | K | Relay (1.0) Calculated Property |
| Tc | 806.03 | K | Relay (1.0) Calculated Property |
| Tfus | 298.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.192 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.72; 1062.45] | J/mol×K | [750.23; 926.12] |
|
| Cp,gas | 955.72 | J/mol×K | 750.23 | Joback Calculated Property |
| Cp,gas | 975.75 | J/mol×K | 779.54 | Joback Calculated Property |
| Cp,gas | 994.82 | J/mol×K | 808.86 | Joback Calculated Property |
| Cp,gas | 1012.98 | J/mol×K | 838.17 | Joback Calculated Property |
| Cp,gas | 1030.27 | J/mol×K | 867.49 | Joback Calculated Property |
| Cp,gas | 1046.74 | J/mol×K | 896.80 | Joback Calculated Property |
| Cp,gas | 1062.45 | J/mol×K | 926.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to But-2-enamide, N,N-dioctyl-3-methyl-.
Sources
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