- InChI
- InChI=1S/C17H34BrNO/c1-3-5-7-9-11-13-15-19(17(20)16-18)14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key
- QLRLBCAQISQMGS-UHFFFAOYSA-N
- Formula
- C17H34BrNO
- SMILES
- CCCCCCCCN(CCCCCCC)C(=O)CBr
- Molecular Weight1
- 348.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -501.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.56 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.541 | Crippen Calculated Property | |
| McVol | 279.440 | ml/mol | McGowan Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 607.89 | K | Relay (1.0) Calculated Property |
| Tfus | 290.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.91; 890.63] | J/mol×K | [721.03; 898.99] |
|
| Cp,gas | 796.91 | J/mol×K | 721.03 | Joback Calculated Property |
| Cp,gas | 814.58 | J/mol×K | 750.69 | Joback Calculated Property |
| Cp,gas | 831.37 | J/mol×K | 780.35 | Joback Calculated Property |
| Cp,gas | 847.33 | J/mol×K | 810.01 | Joback Calculated Property |
| Cp,gas | 862.50 | J/mol×K | 839.67 | Joback Calculated Property |
| Cp,gas | 876.92 | J/mol×K | 869.33 | Joback Calculated Property |
| Cp,gas | 890.63 | J/mol×K | 898.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetamide, N-heptyl-N-octyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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