- InChI
- InChI=1S/C25H42BrNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(4-2)25(28)23-20-17-18-21-24(23)26/h17-18,20-21H,3-16,19,22H2,1-2H3
- InChI Key
- JYQQCXBXQBQSIN-UHFFFAOYSA-N
- Formula
- C25H42BrNO
- SMILES
-
CCCCCCCCCCCCCCCCN(CC)C(=O)c1cc
ccc1Br - Molecular Weight1
- 452.51
- 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° | 258.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.41 | kJ/mol | Joback Calculated Property |
| log10WS | -9.48 | Crippen Calculated Property | |
| logPoct/wat | 8.393 | Crippen Calculated Property | |
| McVol | 368.400 | ml/mol | McGowan Calculated Property |
| Pc | 993.88 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1667.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 935.53 | K | Joback Calculated Property |
| Tc | 1146.05 | K | Joback Calculated Property |
| Tfus | 552.65 | K | Joback Calculated Property |
| Vc | 1.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1190.15; 1287.59] | J/mol×K | [935.53; 1146.05] |
|
| Cp,gas | 1190.15 | J/mol×K | 935.53 | Joback Calculated Property |
| Cp,gas | 1208.85 | J/mol×K | 970.62 | Joback Calculated Property |
| Cp,gas | 1226.44 | J/mol×K | 1005.70 | Joback Calculated Property |
| Cp,gas | 1243.02 | J/mol×K | 1040.79 | Joback Calculated Property |
| Cp,gas | 1258.68 | J/mol×K | 1075.88 | Joback Calculated Property |
| Cp,gas | 1273.51 | J/mol×K | 1110.96 | Joback Calculated Property |
| Cp,gas | 1287.59 | J/mol×K | 1146.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-ethyl-N-hexadecyl-.
Sources
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