- InChI
- InChI=1S/C7H14BrNO/c1-6(2)3-4-9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)
- InChI Key
- HSFWFNUAKKZHOW-UHFFFAOYSA-N
- Formula
- C7H14BrNO
- SMILES
- CC(C)CCNC(=O)CBr
- Molecular Weight1
- 208.10
- 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° | -19.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.544 | Crippen Calculated Property | |
| McVol | 138.540 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1356.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Tboil | 529.32 | K | Joback Calculated Property |
| Tc | 728.52 | K | Joback Calculated Property |
| Tfus | 316.04 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.66; 360.19] | J/mol×K | [529.32; 728.52] |
|
| Cp,gas | 298.66 | J/mol×K | 529.32 | Joback Calculated Property |
| Cp,gas | 310.38 | J/mol×K | 562.52 | Joback Calculated Property |
| Cp,gas | 321.49 | J/mol×K | 595.72 | Joback Calculated Property |
| Cp,gas | 332.00 | J/mol×K | 628.92 | Joback Calculated Property |
| Cp,gas | 341.93 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 351.32 | J/mol×K | 695.32 | Joback Calculated Property |
| Cp,gas | 360.19 | J/mol×K | 728.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromacetamide, N-(3-methylbutyl)-.
Sources
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