- InChI
- InChI=1S/C14H20BrNO/c1-3-16(14(17)9-4-5-10-15)13-8-6-7-12(2)11-13/h6-8,11H,3-5,9-10H2,1-2H3
- InChI Key
- ZOXDCCDXZLUKBW-UHFFFAOYSA-N
- Formula
- C14H20BrNO
- SMILES
- CCN(C(=O)CCCCBr)c1cccc(C)c1
- Molecular Weight1
- 298.22
- 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° | 165.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.913 | Crippen Calculated Property | |
| McVol | 213.410 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | 1972.00 | NIST | |
| Tboil | 683.85 | K | Joback Calculated Property |
| Tc | 895.31 | K | Joback Calculated Property |
| Tfus | 428.68 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.91; 627.37] | J/mol×K | [683.85; 895.31] | 
|
| Cp,gas | 548.91 | J/mol×K | 683.85 | Joback Calculated Property |
| Cp,gas | 564.25 | J/mol×K | 719.09 | Joback Calculated Property |
| Cp,gas | 578.61 | J/mol×K | 754.34 | Joback Calculated Property |
| Cp,gas | 592.05 | J/mol×K | 789.58 | Joback Calculated Property |
| Cp,gas | 604.61 | J/mol×K | 824.82 | Joback Calculated Property |
| Cp,gas | 616.37 | J/mol×K | 860.07 | Joback Calculated Property |
| Cp,gas | 627.37 | J/mol×K | 895.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-ethyl-N-(3-methylphenyl)-5-bromo-.
Sources
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