- InChI
- InChI=1S/C21H42BrNO/c1-5-9-13-19(7-3)17-23(21(24)15-11-12-16-22)18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
- InChI Key
- LUNGCQXCRGMSAN-UHFFFAOYSA-N
- Formula
- C21H42BrNO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)CC
CCBr - Molecular Weight1
- 404.47
- 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° | 117.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 6.813 | Crippen Calculated Property | |
| McVol | 335.800 | ml/mol | McGowan Calculated Property |
| Pc | 1048.69 | kPa | Joback Calculated Property |
| Inp | 2431.00 | NIST | |
| Tboil | 811.47 | K | Joback Calculated Property |
| Tc | 997.94 | K | Joback Calculated Property |
| Tfus | 438.63 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.46; 1138.97] | J/mol×K | [811.47; 997.94] | 
|
| Cp,gas | 1036.46 | J/mol×K | 811.47 | Joback Calculated Property |
| Cp,gas | 1055.94 | J/mol×K | 842.55 | Joback Calculated Property |
| Cp,gas | 1074.38 | J/mol×K | 873.63 | Joback Calculated Property |
| Cp,gas | 1091.85 | J/mol×K | 904.70 | Joback Calculated Property |
| Cp,gas | 1108.41 | J/mol×K | 935.78 | Joback Calculated Property |
| Cp,gas | 1124.10 | J/mol×K | 966.86 | Joback Calculated Property |
| Cp,gas | 1138.97 | J/mol×K | 997.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-bis(2-ethylhexyl)-5-bromo-.
Sources
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