- InChI
- InChI=1S/C11H13BrClNO/c12-9-4-6-10(7-5-9)14-11(15)3-1-2-8-13/h4-7H,1-3,8H2,(H,14,15)
- InChI Key
- CFOVGBMBEDOVGW-UHFFFAOYSA-N
- Formula
- C11H13BrClNO
- SMILES
- O=C(CCCCCl)Nc1ccc(Br)cc1
- Molecular Weight1
- 290.58
- 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° | 107.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.797 | Crippen Calculated Property | |
| McVol | 183.380 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | 2210.00 | NIST | |
| Tboil | 690.37 | K | Joback Calculated Property |
| Tc | 917.82 | K | Joback Calculated Property |
| Tfus | 444.98 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.83; 492.73] | J/mol×K | [690.37; 917.82] | 
|
| Cp,gas | 432.83 | J/mol×K | 690.37 | Joback Calculated Property |
| Cp,gas | 444.79 | J/mol×K | 728.28 | Joback Calculated Property |
| Cp,gas | 455.89 | J/mol×K | 766.19 | Joback Calculated Property |
| Cp,gas | 466.18 | J/mol×K | 804.09 | Joback Calculated Property |
| Cp,gas | 475.72 | J/mol×K | 842.00 | Joback Calculated Property |
| Cp,gas | 484.55 | J/mol×K | 879.91 | Joback Calculated Property |
| Cp,gas | 492.73 | J/mol×K | 917.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(4-bromophenyl)-5-chloro-.
Sources
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