- InChI
- InChI=1S/C15H22BrNO/c1-3-5-6-9-12-17(4-2)15(18)13-10-7-8-11-14(13)16/h7-8,10-11H,3-6,9,12H2,1-2H3
- InChI Key
- FRDUWWPEYWWXKB-UHFFFAOYSA-N
- Formula
- C15H22BrNO
- SMILES
- CCCCCCN(CC)C(=O)c1ccccc1Br
- 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° | 174.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.29 | Crippen Calculated Property | |
| logPoct/wat | 4.492 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | [2211.00; 2211.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 706.73 | K | Joback Calculated Property |
| Tc | 915.27 | K | Joback Calculated Property |
| Tfus | 439.95 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.25; 682.88] | J/mol×K | [706.73; 915.27] |
|
| Cp,gas | 602.25 | J/mol×K | 706.73 | Joback Calculated Property |
| Cp,gas | 617.96 | J/mol×K | 741.49 | Joback Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 776.24 | Joback Calculated Property |
| Cp,gas | 646.49 | J/mol×K | 811.00 | Joback Calculated Property |
| Cp,gas | 659.41 | J/mol×K | 845.75 | Joback Calculated Property |
| Cp,gas | 671.52 | J/mol×K | 880.51 | Joback Calculated Property |
| Cp,gas | 682.88 | J/mol×K | 915.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-ethyl-N-hexyl-.
Sources
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