- InChI
- InChI=1S/C18H36BrNO/c1-3-5-7-9-11-13-15-20(18(21)17-19)16-14-12-10-8-6-4-2/h3-17H2,1-2H3
- InChI Key
- XEFDAMQSIJLBRD-UHFFFAOYSA-N
- Formula
- C18H36BrNO
- SMILES
- CCCCCCCCN(CCCCCCCC)C(=O)CBr
- Molecular Weight1
- 362.40
- 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 | -523.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.931 | Crippen Calculated Property | |
| McVol | 293.530 | ml/mol | McGowan Calculated Property |
| Inp | 2366.00 | NIST | |
| Tboil | 614.64 | K | Relay (1.0) Calculated Property |
| Tfus | 302.49 | 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 | [855.17; 950.85] | J/mol×K | [743.91; 922.65] | 
|
| Cp,gas | 855.17 | J/mol×K | 743.91 | Joback Calculated Property |
| Cp,gas | 873.22 | J/mol×K | 773.70 | Joback Calculated Property |
| Cp,gas | 890.37 | J/mol×K | 803.49 | Joback Calculated Property |
| Cp,gas | 906.66 | J/mol×K | 833.28 | Joback Calculated Property |
| Cp,gas | 922.15 | J/mol×K | 863.07 | Joback Calculated Property |
| Cp,gas | 936.86 | J/mol×K | 892.86 | Joback Calculated Property |
| Cp,gas | 950.85 | J/mol×K | 922.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetamide, N,N-dioctyl-.
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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