- InChI
- InChI=1S/C14H12BrNO2/c1-18-13-4-2-3-10(9-13)14(17)16-12-7-5-11(15)6-8-12/h2-9H,1H3,(H,16,17)
- InChI Key
- IMMHSSHSDBYSND-UHFFFAOYSA-N
- Formula
- C14H12BrNO2
- SMILES
- COc1cccc(C(=O)Nc2ccc(Br)cc2)c1
- Molecular Weight1
- 306.15
- 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° | 142.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 3.710 | Crippen Calculated Property | |
| McVol | 195.520 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | 2520.00 | NIST | |
| Tboil | 775.66 | K | Joback Calculated Property |
| Tc | 1026.95 | K | Joback Calculated Property |
| Tfus | 510.04 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.84; 556.61] | J/mol×K | [775.66; 1026.95] | 
|
| Cp,gas | 497.84 | J/mol×K | 775.66 | Joback Calculated Property |
| Cp,gas | 510.24 | J/mol×K | 817.54 | Joback Calculated Property |
| Cp,gas | 521.51 | J/mol×K | 859.42 | Joback Calculated Property |
| Cp,gas | 531.73 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 540.94 | J/mol×K | 943.19 | Joback Calculated Property |
| Cp,gas | 549.22 | J/mol×K | 985.07 | Joback Calculated Property |
| Cp,gas | 556.61 | J/mol×K | 1026.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-bromophenyl)-3-methoxy-.
Sources
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