- InChI
- InChI=1S/C11H14BrNO3/c1-7(12)11(14)13-9-6-8(15-2)4-5-10(9)16-3/h4-7H,1-3H3,(H,13,14)
- InChI Key
- YSRWCGOGVBPWOI-UHFFFAOYSA-N
- Formula
- C11H14BrNO3
- SMILES
- COc1ccc(OC)c(NC(=O)C(C)Br)c1
- Molecular Weight1
- 288.14
- 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° | -102.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.426 | Crippen Calculated Property | |
| McVol | 182.880 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | 1932.00 | NIST | |
| Tboil | 702.32 | K | Joback Calculated Property |
| Tc | 926.19 | K | Joback Calculated Property |
| Tfus | 457.04 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.44; 520.52] | J/mol×K | [702.32; 926.19] | 
|
| Cp,gas | 457.44 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 470.08 | J/mol×K | 739.63 | Joback Calculated Property |
| Cp,gas | 481.86 | J/mol×K | 776.94 | Joback Calculated Property |
| Cp,gas | 492.78 | J/mol×K | 814.25 | Joback Calculated Property |
| Cp,gas | 502.86 | J/mol×K | 851.57 | Joback Calculated Property |
| Cp,gas | 512.11 | J/mol×K | 888.88 | Joback Calculated Property |
| Cp,gas | 520.52 | J/mol×K | 926.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(2,5-dimethoxyphenyl)-2-bromo-.
Sources
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