- InChI
- InChI=1S/C21H41NO/c1-7-11-13-19(9-3)16-22(21(23)15-18(5)6)17-20(10-4)14-12-8-2/h15,19-20H,7-14,16-17H2,1-6H3
- InChI Key
- BEVUJVCVSUBJOK-UHFFFAOYSA-N
- Formula
- C21H41NO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)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 | 0.8024 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.214 | Crippen Calculated Property | |
| McVol | 314.000 | ml/mol | McGowan Calculated Property |
| Pc | 1040.58 | kPa | Joback Calculated Property |
| Inp | 2073.00 | NIST | |
| Tboil | 606.51 | K | Relay (1.0) Calculated Property |
| Tc | 794.73 | K | Relay (1.0) Calculated Property |
| Tfus | 258.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.60; 1064.75] | J/mol×K | [749.35; 928.02] | 
|
| Cp,gas | 956.60 | J/mol×K | 749.35 | Joback Calculated Property |
| Cp,gas | 976.98 | J/mol×K | 779.13 | Joback Calculated Property |
| Cp,gas | 996.35 | J/mol×K | 808.91 | Joback Calculated Property |
| Cp,gas | 1014.76 | J/mol×K | 838.68 | Joback Calculated Property |
| Cp,gas | 1032.27 | J/mol×K | 868.46 | Joback Calculated Property |
| Cp,gas | 1048.91 | J/mol×K | 898.24 | Joback Calculated Property |
| Cp,gas | 1064.75 | J/mol×K | 928.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to But-2-enamide, N,N-bis(2-ethylhexyl)-3-methyl-.
Sources
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