- InChI
- InChI=1S/C20H41NO/c1-6-8-10-12-14-16-18-21(19(22)20(3,4)5)17-15-13-11-9-7-2/h6-18H2,1-5H3
- InChI Key
- CBOCKIPUKOQCTH-UHFFFAOYSA-N
- Formula
- C20H41NO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)C(C)(C)
C - Molecular Weight1
- 311.55
- 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 | 0.8577 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.192 | Crippen Calculated Property | |
| McVol | 304.210 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 582.06 | K | Relay (1.0) Calculated Property |
| Tc | 772.82 | K | Relay (1.0) Calculated Property |
| Tfus | 256.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.177 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.05; 1027.75] | J/mol×K | [720.08; 893.57] |
|
| Cp,gas | 920.05 | J/mol×K | 720.08 | Joback Calculated Property |
| Cp,gas | 940.33 | J/mol×K | 749.00 | Joback Calculated Property |
| Cp,gas | 959.61 | J/mol×K | 777.91 | Joback Calculated Property |
| Cp,gas | 977.95 | J/mol×K | 806.83 | Joback Calculated Property |
| Cp,gas | 995.38 | J/mol×K | 835.74 | Joback Calculated Property |
| Cp,gas | 1011.97 | J/mol×K | 864.66 | Joback Calculated Property |
| Cp,gas | 1027.75 | J/mol×K | 893.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-heptyl-N-octyl-2,2-dimethyl-.
Sources
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