- InChI
- InChI=1S/C11H14BrNO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
- InChI Key
- LDUPVXSXLZOQAF-UHFFFAOYSA-N
- Formula
- C11H14BrNO
- SMILES
- CCN(CC)C(=O)c1ccc(Br)cc1
- Molecular Weight1
- 256.14
- 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° | 140.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.931 | Crippen Calculated Property | |
| McVol | 171.140 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Inp | [1993.00; 1993.00] |
|
|
| Inp | 1993.00 | NIST | |
| Inp | 1993.00 | NIST | |
| Tboil | 615.21 | K | Joback Calculated Property |
| Tc | 837.60 | K | Joback Calculated Property |
| Tfus | 394.87 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.83; 466.49] | J/mol×K | [615.21; 837.60] |
|
| Cp,gas | 396.83 | J/mol×K | 615.21 | Joback Calculated Property |
| Cp,gas | 410.64 | J/mol×K | 652.27 | Joback Calculated Property |
| Cp,gas | 423.49 | J/mol×K | 689.34 | Joback Calculated Property |
| Cp,gas | 435.44 | J/mol×K | 726.40 | Joback Calculated Property |
| Cp,gas | 446.56 | J/mol×K | 763.47 | Joback Calculated Property |
| Cp,gas | 456.89 | J/mol×K | 800.53 | Joback Calculated Property |
| Cp,gas | 466.49 | J/mol×K | 837.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N,N-diethyl-.
Sources
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