- InChI
- InChI=1S/C21H42BrNO/c1-3-5-7-9-11-15-19-23(21(24)17-13-14-18-22)20-16-12-10-8-6-4-2/h3-20H2,1-2H3
- InChI Key
- YIOIJYTYHHPOHU-UHFFFAOYSA-N
- Formula
- C21H42BrNO
- SMILES
- CCCCCCCCN(CCCCCCCC)C(=O)CCCCBr
- 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° | 122.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.56 | kJ/mol | Joback Calculated Property |
| log10WS | -7.39 | Crippen Calculated Property | |
| logPoct/wat | 7.101 | Crippen Calculated Property | |
| McVol | 335.800 | ml/mol | McGowan Calculated Property |
| Pc | 1037.90 | kPa | Joback Calculated Property |
| Inp | [2661.00; 2661.00] |
|
|
| Inp | 2661.00 | NIST | |
| Inp | 2661.00 | NIST | |
| Tboil | 812.35 | K | Joback Calculated Property |
| Tc | 997.12 | K | Joback Calculated Property |
| Tfus | 468.63 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1035.54; 1137.50] | J/mol×K | [812.35; 997.12] |
|
| Cp,gas | 1035.54 | J/mol×K | 812.35 | Joback Calculated Property |
| Cp,gas | 1054.83 | J/mol×K | 843.14 | Joback Calculated Property |
| Cp,gas | 1073.13 | J/mol×K | 873.94 | Joback Calculated Property |
| Cp,gas | 1090.50 | J/mol×K | 904.73 | Joback Calculated Property |
| Cp,gas | 1106.98 | J/mol×K | 935.53 | Joback Calculated Property |
| Cp,gas | 1122.63 | J/mol×K | 966.32 | Joback Calculated Property |
| Cp,gas | 1137.50 | J/mol×K | 997.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-dioctyl-5-bromo-.
Sources
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