- InChI
- InChI=1S/C21H41NO/c1-5-9-12-18(7-3)16-22(21(23)20-14-11-15-20)17-19(8-4)13-10-6-2/h18-20H,5-17H2,1-4H3
- InChI Key
- AHCJDKDIJJBQGH-UHFFFAOYSA-N
- Formula
- C21H41NO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1
CCC1 - Molecular Weight1
- 323.56
- 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° | 151.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.44 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 6.048 | Crippen Calculated Property | |
| McVol | 307.440 | ml/mol | McGowan Calculated Property |
| Pc | 1109.63 | kPa | Joback Calculated Property |
| Inp | [2085.00; 2085.00] |
|
|
| Inp | 2085.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Tboil | 756.32 | K | Joback Calculated Property |
| Tc | 939.16 | K | Joback Calculated Property |
| Tfus | 393.25 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.33; 1082.35] | J/mol×K | [756.32; 939.16] |
|
| Cp,gas | 970.33 | J/mol×K | 756.32 | Joback Calculated Property |
| Cp,gas | 991.60 | J/mol×K | 786.79 | Joback Calculated Property |
| Cp,gas | 1011.76 | J/mol×K | 817.27 | Joback Calculated Property |
| Cp,gas | 1030.85 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 1048.94 | J/mol×K | 878.21 | Joback Calculated Property |
| Cp,gas | 1066.09 | J/mol×K | 908.69 | Joback Calculated Property |
| Cp,gas | 1082.35 | J/mol×K | 939.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N,N-bis(2-ethylhexyl)-.
Sources
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