- InChI
- InChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)
- InChI Key
- WZDDLAZXUYIVMU-UHFFFAOYSA-N
- Formula
- C15H22BrNO
- SMILES
-
CC(C)(NC(=O)C(Br)C(C)(C)C)c1cc
ccc1 - Molecular Weight1
- 312.25
- CAS
- 74712-19-9
- Other Names
-
- Butanamide, 2-bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)-
- 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° | 165.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [1879.00; 1912.20] |
|
|
| Inp | 1879.00 | NIST | |
| Inp | 1887.00 | NIST | |
| Inp | 1912.20 | NIST | |
| Inp | 1887.00 | NIST | |
| Inp | 1879.00 | NIST | |
| Inp | 1912.20 | NIST | |
| Tboil | 732.58 | K | Joback Calculated Property |
| Tc | 968.71 | K | Joback Calculated Property |
| Tfus | 437.46 | K | Joback Calculated Property |
| Vc | 0.843 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.72; 704.64] | J/mol×K | [732.58; 968.71] |
|
| Cp,gas | 623.72 | J/mol×K | 732.58 | Joback Calculated Property |
| Cp,gas | 639.93 | J/mol×K | 771.94 | Joback Calculated Property |
| Cp,gas | 654.87 | J/mol×K | 811.29 | Joback Calculated Property |
| Cp,gas | 668.68 | J/mol×K | 850.65 | Joback Calculated Property |
| Cp,gas | 681.49 | J/mol×K | 890.00 | Joback Calculated Property |
| Cp,gas | 693.43 | J/mol×K | 929.36 | Joback Calculated Property |
| Cp,gas | 704.64 | J/mol×K | 968.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromobutide.
Sources
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