- InChI
- InChI=1S/C17H12BrNO/c18-15-10-4-3-9-14(15)17(20)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)
- InChI Key
- ULEKQHYKVSCTIT-UHFFFAOYSA-N
- Formula
- C17H12BrNO
- SMILES
- O=C(Nc1cccc2ccccc12)c1ccccc1Br
- Molecular Weight1
- 326.19
- 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 | 0.6652 | Relay (1.0) Calculated Property | |
| ΔfG° | 379.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.855 | Crippen Calculated Property | |
| McVol | 212.460 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | [2706.00; 2706.00] |
|
|
| Inp | 2706.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Tboil | 695.27 | K | Relay (1.0) Calculated Property |
| Tc | 1050.40 | K | Relay (1.0) Calculated Property |
| Tfus | 444.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.12; 619.53] | J/mol×K | [840.86; 1107.55] |
|
| Cp,gas | 558.12 | J/mol×K | 840.86 | Joback Calculated Property |
| Cp,gas | 570.25 | J/mol×K | 885.31 | Joback Calculated Property |
| Cp,gas | 581.40 | J/mol×K | 929.76 | Joback Calculated Property |
| Cp,gas | 591.75 | J/mol×K | 974.21 | Joback Calculated Property |
| Cp,gas | 601.44 | J/mol×K | 1018.65 | Joback Calculated Property |
| Cp,gas | 610.65 | J/mol×K | 1063.10 | Joback Calculated Property |
| Cp,gas | 619.53 | J/mol×K | 1107.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(1-naphthyl)-2-bromo-.
Sources
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