- InChI
- InChI=1S/C21H43NO/c1-6-11-14-19(9-4)17-22(21(23)16-13-8-3)18-20(10-5)15-12-7-2/h19-20H,6-18H2,1-5H3
- InChI Key
- WKPLQXJHLUWPJN-UHFFFAOYSA-N
- Formula
- C21H43NO
- SMILES
-
CCCCC(=O)N(CC(CC)CCCC)CC(CC)CC
CC - Molecular Weight1
- 325.57
- 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 | 0.8540 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.438 | Crippen Calculated Property | |
| McVol | 318.300 | ml/mol | McGowan Calculated Property |
| Pc | 1003.35 | kPa | Joback Calculated Property |
| Inp | 2089.00 | NIST | |
| Tboil | 605.04 | K | Relay (1.0) Calculated Property |
| Tc | 789.34 | K | Relay (1.0) Calculated Property |
| Tfus | 238.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.24; 1090.36] | J/mol×K | [745.31; 919.42] | 
|
| Cp,gas | 980.24 | J/mol×K | 745.31 | Joback Calculated Property |
| Cp,gas | 1001.00 | J/mol×K | 774.33 | Joback Calculated Property |
| Cp,gas | 1020.74 | J/mol×K | 803.35 | Joback Calculated Property |
| Cp,gas | 1039.51 | J/mol×K | 832.37 | Joback Calculated Property |
| Cp,gas | 1057.34 | J/mol×K | 861.39 | Joback Calculated Property |
| Cp,gas | 1074.28 | J/mol×K | 890.40 | Joback Calculated Property |
| Cp,gas | 1090.36 | J/mol×K | 919.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-bis(2-ethylhexyl)-.
Sources
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