- InChI
- InChI=1S/C15H14BrNO3/c1-19-12-6-7-14(20-2)13(9-12)17-15(18)10-4-3-5-11(16)8-10/h3-9H,1-2H3,(H,17,18)
- InChI Key
- KULBIWXZTWXDGZ-UHFFFAOYSA-N
- Formula
- C15H14BrNO3
- SMILES
-
COc1ccc(OC)c(NC(=O)c2cccc(Br)c
2)c1 - Molecular Weight1
- 336.18
- 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 | 0.7642 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.719 | Crippen Calculated Property | |
| McVol | 215.480 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | 2574.00 | NIST | |
| Tboil | 661.85 | K | Relay (1.0) Calculated Property |
| Tc | 959.50 | K | Relay (1.0) Calculated Property |
| Tfus | 418.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.76; 631.05] | J/mol×K | [825.94; 1069.48] | 
|
| Cp,gas | 574.76 | J/mol×K | 825.94 | Joback Calculated Property |
| Cp,gas | 586.95 | J/mol×K | 866.53 | Joback Calculated Property |
| Cp,gas | 597.98 | J/mol×K | 907.12 | Joback Calculated Property |
| Cp,gas | 607.87 | J/mol×K | 947.71 | Joback Calculated Property |
| Cp,gas | 616.67 | J/mol×K | 988.30 | Joback Calculated Property |
| Cp,gas | 624.38 | J/mol×K | 1028.89 | Joback Calculated Property |
| Cp,gas | 631.05 | J/mol×K | 1069.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2,5-dimethoxyphenyl)-3-bromo-.
Sources
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