- InChI
- InChI=1S/C18H17Br2NO2/c1-2-3-12-21(17(22)13-8-4-6-10-15(13)19)18(23)14-9-5-7-11-16(14)20/h4-11H,2-3,12H2,1H3
- InChI Key
- IBDKYODHVYONML-UHFFFAOYSA-N
- Formula
- C18H17Br2NO2
- SMILES
-
CCCCN(C(=O)c1ccccc1Br)C(=O)c1c
cccc1Br - Molecular Weight1
- 439.14
- 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 | 0.7926 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.294 | Crippen Calculated Property | |
| McVol | 265.080 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Inp | [2708.00; 2708.00] |
|
|
| Inp | 2708.00 | NIST | |
| Inp | 2708.00 | NIST | |
| Tboil | 683.28 | K | Relay (1.0) Calculated Property |
| Tc | 951.60 | K | Relay (1.0) Calculated Property |
| Tfus | 359.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.27; 778.21] | J/mol×K | [927.06; 1176.31] |
|
| Cp,gas | 719.27 | J/mol×K | 927.06 | Joback Calculated Property |
| Cp,gas | 730.87 | J/mol×K | 968.60 | Joback Calculated Property |
| Cp,gas | 741.59 | J/mol×K | 1010.14 | Joback Calculated Property |
| Cp,gas | 751.56 | J/mol×K | 1051.68 | Joback Calculated Property |
| Cp,gas | 760.90 | J/mol×K | 1093.23 | Joback Calculated Property |
| Cp,gas | 769.74 | J/mol×K | 1134.77 | Joback Calculated Property |
| Cp,gas | 778.21 | J/mol×K | 1176.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-butyl-.
Sources
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