- InChI
- InChI=1S/C15H22BrNO/c1-2-3-4-5-6-7-11-17-15(18)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3,(H,17,18)
- InChI Key
- DRVXITPEDPBBSZ-UHFFFAOYSA-N
- Formula
- C15H22BrNO
- SMILES
- CCCCCCCCNC(=O)c1cccc(Br)c1
- Molecular Weight1
- 312.25
- 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° | 152.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Inp | [2379.00; 2379.00] |
|
|
| Inp | 2379.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Tboil | 744.46 | K | Joback Calculated Property |
| Tc | 955.40 | K | Joback Calculated Property |
| Tfus | 460.14 | K | Joback Calculated Property |
| Vc | 0.871 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.59; 693.97] | J/mol×K | [744.46; 955.40] |
|
| Cp,gas | 617.59 | J/mol×K | 744.46 | Joback Calculated Property |
| Cp,gas | 632.50 | J/mol×K | 779.62 | Joback Calculated Property |
| Cp,gas | 646.47 | J/mol×K | 814.77 | Joback Calculated Property |
| Cp,gas | 659.55 | J/mol×K | 849.93 | Joback Calculated Property |
| Cp,gas | 671.79 | J/mol×K | 885.09 | Joback Calculated Property |
| Cp,gas | 683.25 | J/mol×K | 920.25 | Joback Calculated Property |
| Cp,gas | 693.97 | J/mol×K | 955.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-octyl-.
Sources
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