- InChI
- InChI=1S/C23H38BrNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-25(4-2)23(26)21-16-18-22(24)19-17-21/h16-19H,3-15,20H2,1-2H3
- InChI Key
- KVIJIMCFINCZIU-UHFFFAOYSA-N
- Formula
- C23H38BrNO
- SMILES
-
CCCCCCCCCCCCCCN(CC)C(=O)c1ccc(
Br)cc1 - Molecular Weight1
- 424.46
- 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° | 241.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.95 | kJ/mol | Joback Calculated Property |
| log10WS | -8.64 | Crippen Calculated Property | |
| logPoct/wat | 7.612 | Crippen Calculated Property | |
| McVol | 340.220 | ml/mol | McGowan Calculated Property |
| Pc | 1126.08 | kPa | Joback Calculated Property |
| Inp | [1629.00; 1629.00] |
|
|
| Inp | 1629.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Tboil | 889.77 | K | Joback Calculated Property |
| Tc | 1094.17 | K | Joback Calculated Property |
| Tfus | 530.11 | K | Joback Calculated Property |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.09; 1159.51] | J/mol×K | [889.77; 1094.17] |
|
| Cp,gas | 1066.09 | J/mol×K | 889.77 | Joback Calculated Property |
| Cp,gas | 1084.04 | J/mol×K | 923.84 | Joback Calculated Property |
| Cp,gas | 1100.94 | J/mol×K | 957.90 | Joback Calculated Property |
| Cp,gas | 1116.86 | J/mol×K | 991.97 | Joback Calculated Property |
| Cp,gas | 1131.87 | J/mol×K | 1026.03 | Joback Calculated Property |
| Cp,gas | 1146.07 | J/mol×K | 1060.10 | Joback Calculated Property |
| Cp,gas | 1159.51 | J/mol×K | 1094.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N-ethyl-N-tetradecyl-.
Sources
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