- InChI
- InChI=1S/C9H9BrClNO/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6H2,(H,12,13)
- InChI Key
- VZDHQIUBGSISCC-UHFFFAOYSA-N
- Formula
- C9H9BrClNO
- SMILES
- O=C(CCCl)Nc1ccc(Br)cc1
- Molecular Weight1
- 262.53
- 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° | 90.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.016 | Crippen Calculated Property | |
| McVol | 155.200 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Inp | [1964.00; 1964.00] |
|
|
| Inp | 1964.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Tboil | 644.61 | K | Joback Calculated Property |
| Tc | 881.17 | K | Joback Calculated Property |
| Tfus | 422.44 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.34; 387.42] | J/mol×K | [644.61; 881.17] |
|
| Cp,gas | 335.34 | J/mol×K | 644.61 | Joback Calculated Property |
| Cp,gas | 345.89 | J/mol×K | 684.04 | Joback Calculated Property |
| Cp,gas | 355.62 | J/mol×K | 723.46 | Joback Calculated Property |
| Cp,gas | 364.58 | J/mol×K | 762.89 | Joback Calculated Property |
| Cp,gas | 372.84 | J/mol×K | 802.31 | Joback Calculated Property |
| Cp,gas | 380.43 | J/mol×K | 841.74 | Joback Calculated Property |
| Cp,gas | 387.42 | J/mol×K | 881.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-bromophenyl)-3-chloro-.
Sources
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