- InChI
- InChI=1S/C18H36BrNO/c1-4-6-8-10-12-14-16-20(18(21)17(3)19)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3
- InChI Key
- AKYXBWMBRGAFJW-UHFFFAOYSA-N
- Formula
- C18H36BrNO
- SMILES
- CCCCCCCCN(CCCCCCC)C(=O)C(C)Br
- Molecular Weight1
- 362.39
- 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° | 94.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.50 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.929 | Crippen Calculated Property | |
| McVol | 293.530 | ml/mol | McGowan Calculated Property |
| Pc | 1268.25 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 743.27 | K | Joback Calculated Property |
| Tc | 923.63 | K | Joback Calculated Property |
| Tfus | 419.82 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.52; 951.97] | J/mol×K | [743.27; 923.63] |
|
| Cp,gas | 855.52 | J/mol×K | 743.27 | Joback Calculated Property |
| Cp,gas | 873.75 | J/mol×K | 773.33 | Joback Calculated Property |
| Cp,gas | 891.06 | J/mol×K | 803.39 | Joback Calculated Property |
| Cp,gas | 907.50 | J/mol×K | 833.45 | Joback Calculated Property |
| Cp,gas | 923.10 | J/mol×K | 863.51 | Joback Calculated Property |
| Cp,gas | 937.90 | J/mol×K | 893.57 | Joback Calculated Property |
| Cp,gas | 951.97 | J/mol×K | 923.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, n-heptyl-n-octyl-2-bromo-.
Sources
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