- InChI
- InChI=1S/C13H12BrNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
- InChI Key
- DWJREIMLLUYESG-UHFFFAOYSA-N
- Formula
- C13H12BrNO
- SMILES
- CC(Br)C(=O)Nc1cccc2ccccc12
- Molecular Weight1
- 278.14
- 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 | 0.6175 | Relay (1.0) Calculated Property | |
| ΔfG° | 240.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.562 | Crippen Calculated Property | |
| McVol | 179.860 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2070.00] |
|
|
| Inp | 2070.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Tboil | 631.71 | K | Relay (1.0) Calculated Property |
| Tc | 924.49 | K | Relay (1.0) Calculated Property |
| Tfus | 423.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.30; 506.26] | J/mol×K | [717.24; 964.79] |
|
| Cp,gas | 444.30 | J/mol×K | 717.24 | Joback Calculated Property |
| Cp,gas | 456.79 | J/mol×K | 758.50 | Joback Calculated Property |
| Cp,gas | 468.26 | J/mol×K | 799.76 | Joback Calculated Property |
| Cp,gas | 478.84 | J/mol×K | 841.01 | Joback Calculated Property |
| Cp,gas | 488.63 | J/mol×K | 882.27 | Joback Calculated Property |
| Cp,gas | 497.73 | J/mol×K | 923.53 | Joback Calculated Property |
| Cp,gas | 506.26 | J/mol×K | 964.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(1-naphthyl)-2-bromo-.
Sources
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