- InChI
- InChI=1S/C10H12BrNO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h4-7H,2-3H2,1H3,(H,12,13)
- InChI Key
- GULFEFQSLUZFQM-UHFFFAOYSA-N
- Formula
- C10H12BrNO
- SMILES
- CCCC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 242.11
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5891 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.188 | Crippen Calculated Property | |
| McVol | 157.050 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [1809.00; 1809.00] |
|
|
| Inp | 1809.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Tboil | 574.08 | K | Relay (1.0) Calculated Property |
| Tc | 815.71 | K | Relay (1.0) Calculated Property |
| Tfus | 390.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.25; 422.26] | J/mol×K | [630.06; 858.82] |
|
| Cp,gas | 360.25 | J/mol×K | 630.06 | Joback Calculated Property |
| Cp,gas | 372.58 | J/mol×K | 668.19 | Joback Calculated Property |
| Cp,gas | 384.05 | J/mol×K | 706.31 | Joback Calculated Property |
| Cp,gas | 394.71 | J/mol×K | 744.44 | Joback Calculated Property |
| Cp,gas | 404.60 | J/mol×K | 782.57 | Joback Calculated Property |
| Cp,gas | 413.76 | J/mol×K | 820.70 | Joback Calculated Property |
| Cp,gas | 422.26 | J/mol×K | 858.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-(4-bromophenyl)-.
Sources
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