- InChI
- InChI=1S/C22H36BrNO/c1-3-5-7-9-11-13-18-24(17-12-10-8-6-4-2)22(25)20-15-14-16-21(23)19-20/h14-16,19H,3-13,17-18H2,1-2H3
- InChI Key
- RPMOQVIHJDQPPK-UHFFFAOYSA-N
- Formula
- C22H36BrNO
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)c1cccc(
Br)c1 - Molecular Weight1
- 410.43
- 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 | 0.9797 | Relay (1.0) Calculated Property | |
| ΔfG° | 233.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.222 | Crippen Calculated Property | |
| McVol | 326.130 | ml/mol | McGowan Calculated Property |
| Pc | 1202.29 | kPa | Joback Calculated Property |
| Inp | 2629.00 | NIST | |
| Tboil | 670.94 | K | Relay (1.0) Calculated Property |
| Tc | 881.93 | K | Relay (1.0) Calculated Property |
| Tfus | 296.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.200 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.09; 1096.82] | J/mol×K | [866.89; 1069.49] | 
|
| Cp,gas | 1005.09 | J/mol×K | 866.89 | Joback Calculated Property |
| Cp,gas | 1022.73 | J/mol×K | 900.66 | Joback Calculated Property |
| Cp,gas | 1039.33 | J/mol×K | 934.42 | Joback Calculated Property |
| Cp,gas | 1054.97 | J/mol×K | 968.19 | Joback Calculated Property |
| Cp,gas | 1069.71 | J/mol×K | 1001.96 | Joback Calculated Property |
| Cp,gas | 1083.64 | J/mol×K | 1035.72 | Joback Calculated Property |
| Cp,gas | 1096.82 | J/mol×K | 1069.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-heptyl-N-octyl-3-bromo-.
Sources
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