- InChI
- InChI=1S/C12H16BrNO/c1-10-5-4-6-11(9-10)14-12(15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
- InChI Key
- MJSLCUBAZZKMSF-UHFFFAOYSA-N
- Formula
- C12H16BrNO
- SMILES
- Cc1cccc(NC(=O)CCCCBr)c1
- Molecular Weight1
- 270.17
- 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° | 127.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.499 | Crippen Calculated Property | |
| McVol | 185.230 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | 2080.00 | NIST | |
| Tboil | 675.82 | K | Joback Calculated Property |
| Tc | 896.31 | K | Joback Calculated Property |
| Tfus | 426.33 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.19; 528.21] | J/mol×K | [675.82; 896.31] | 
|
| Cp,gas | 459.19 | J/mol×K | 675.82 | Joback Calculated Property |
| Cp,gas | 472.79 | J/mol×K | 712.57 | Joback Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 749.32 | Joback Calculated Property |
| Cp,gas | 497.33 | J/mol×K | 786.06 | Joback Calculated Property |
| Cp,gas | 508.37 | J/mol×K | 822.81 | Joback Calculated Property |
| Cp,gas | 518.64 | J/mol×K | 859.56 | Joback Calculated Property |
| Cp,gas | 528.21 | J/mol×K | 896.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(3-methylphenyl)-5-bromo-.
Sources
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