- InChI
- InChI=1S/C19H30BrNO/c1-3-5-7-8-9-10-15-21(14-6-4-2)19(22)17-12-11-13-18(20)16-17/h11-13,16H,3-10,14-15H2,1-2H3
- InChI Key
- MGZIFMARQOTNOH-UHFFFAOYSA-N
- Formula
- C19H30BrNO
- SMILES
-
CCCCCCCCN(CCCC)C(=O)c1cccc(Br)
c1 - Molecular Weight1
- 368.35
- 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° | 208.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 6.052 | Crippen Calculated Property | |
| McVol | 283.860 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | [1977.00; 1977.00] |
|
|
| Inp | 1977.00 | NIST | |
| Inp | 1977.00 | NIST | |
| Tboil | 798.25 | K | Joback Calculated Property |
| Tc | 999.82 | K | Joback Calculated Property |
| Tfus | 485.03 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.79; 914.05] | J/mol×K | [798.25; 999.82] |
|
| Cp,gas | 826.79 | J/mol×K | 798.25 | Joback Calculated Property |
| Cp,gas | 843.63 | J/mol×K | 831.85 | Joback Calculated Property |
| Cp,gas | 859.48 | J/mol×K | 865.44 | Joback Calculated Property |
| Cp,gas | 874.37 | J/mol×K | 899.04 | Joback Calculated Property |
| Cp,gas | 888.39 | J/mol×K | 932.63 | Joback Calculated Property |
| Cp,gas | 901.60 | J/mol×K | 966.23 | Joback Calculated Property |
| Cp,gas | 914.05 | J/mol×K | 999.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-butyl-N-octyl-.
Sources
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