- InChI
- InChI=1S/C11H14BrNO/c1-2-3-4-11(14)13-10-7-5-9(12)6-8-10/h5-8H,2-4H2,1H3,(H,13,14)
- InChI Key
- BVSHEOSLHJDADE-UHFFFAOYSA-N
- Formula
- C11H14BrNO
- SMILES
- CCCCC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 256.14
- 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° | 119.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.578 | Crippen Calculated Property | |
| McVol | 171.140 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| Inp | [1928.00; 1928.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Tboil | 652.94 | K | Joback Calculated Property |
| Tc | 877.40 | K | Joback Calculated Property |
| Tfus | 415.06 | K | Joback Calculated Property |
| Vc | 0.646 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.00; 474.77] | J/mol×K | [652.94; 877.40] |
|
| Cp,gas | 409.00 | J/mol×K | 652.94 | Joback Calculated Property |
| Cp,gas | 422.02 | J/mol×K | 690.35 | Joback Calculated Property |
| Cp,gas | 434.15 | J/mol×K | 727.76 | Joback Calculated Property |
| Cp,gas | 445.44 | J/mol×K | 765.17 | Joback Calculated Property |
| Cp,gas | 455.94 | J/mol×K | 802.58 | Joback Calculated Property |
| Cp,gas | 465.70 | J/mol×K | 839.99 | Joback Calculated Property |
| Cp,gas | 474.77 | J/mol×K | 877.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(4-bromophenyl)-.
Sources
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