- InChI
- InChI=1S/C20H32BrNO/c1-3-5-6-7-8-9-10-11-12-17-22(4-2)20(23)18-13-15-19(21)16-14-18/h13-16H,3-12,17H2,1-2H3
- InChI Key
- DXXPJWOUMFFSSY-UHFFFAOYSA-N
- Formula
- C20H32BrNO
- SMILES
-
CCCCCCCCCCCN(CC)C(=O)c1ccc(Br)
cc1 - Molecular Weight1
- 382.38
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9111 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.442 | Crippen Calculated Property | |
| McVol | 297.950 | ml/mol | McGowan Calculated Property |
| Pc | 1379.91 | kPa | Joback Calculated Property |
| Inp | [2988.00; 2988.00] |
|
|
| Inp | 2988.00 | NIST | |
| Inp | 2988.00 | NIST | |
| Tboil | 660.41 | K | Relay (1.0) Calculated Property |
| Tc | 863.39 | K | Relay (1.0) Calculated Property |
| Tfus | 315.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.38; 974.08] | J/mol×K | [821.13; 1022.37] |
|
| Cp,gas | 885.38 | J/mol×K | 821.13 | Joback Calculated Property |
| Cp,gas | 902.48 | J/mol×K | 854.67 | Joback Calculated Property |
| Cp,gas | 918.56 | J/mol×K | 888.21 | Joback Calculated Property |
| Cp,gas | 933.70 | J/mol×K | 921.75 | Joback Calculated Property |
| Cp,gas | 947.96 | J/mol×K | 955.29 | Joback Calculated Property |
| Cp,gas | 961.40 | J/mol×K | 988.83 | Joback Calculated Property |
| Cp,gas | 974.08 | J/mol×K | 1022.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N-ethyl-N-undecyl-.
Sources
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