- InChI
- InChI=1S/C20H40BrNO/c1-3-5-7-9-11-15-19-22(18-14-10-8-6-4-2)20(23)16-12-13-17-21/h3-19H2,1-2H3
- InChI Key
- CYUAWCDYVRDWMX-UHFFFAOYSA-N
- Formula
- C20H40BrNO
- SMILES
- CCCCCCCCN(CCCCCCC)C(=O)CCCCBr
- Molecular Weight1
- 390.44
- 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° | 113.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.711 | Crippen Calculated Property | |
| McVol | 321.710 | ml/mol | McGowan Calculated Property |
| Pc | 1105.21 | kPa | Joback Calculated Property |
| Inp | 2562.00 | NIST | |
| Tboil | 789.47 | K | Joback Calculated Property |
| Tc | 971.53 | K | Joback Calculated Property |
| Tfus | 457.36 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.49; 1074.25] | J/mol×K | [789.47; 971.53] | 
|
| Cp,gas | 974.49 | J/mol×K | 789.47 | Joback Calculated Property |
| Cp,gas | 993.34 | J/mol×K | 819.81 | Joback Calculated Property |
| Cp,gas | 1011.23 | J/mol×K | 850.16 | Joback Calculated Property |
| Cp,gas | 1028.22 | J/mol×K | 880.50 | Joback Calculated Property |
| Cp,gas | 1044.36 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 1059.68 | J/mol×K | 941.18 | Joback Calculated Property |
| Cp,gas | 1074.25 | J/mol×K | 971.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-heptyl-N-octyl-5-bromo-.
Sources
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