- InChI
- InChI=1S/C14H12BrNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
- InChI Key
- CIGSKJKGTWNQAX-UHFFFAOYSA-N
- Formula
- C14H12BrNO
- SMILES
- O=C(CBr)N(c1ccccc1)c1ccccc1
- Molecular Weight1
- 290.15
- CAS
- 6335-34-8
- 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).
- 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° | 288.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 122.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 189.650 | ml/mol | McGowan Calculated Property |
| Pc | 3191.93 | kPa | Joback Calculated Property |
| Tboil | 705.55 | K | Joback Calculated Property |
| Tc | 959.02 | K | Joback Calculated Property |
| Tfus | 442.58 | K | Joback Calculated Property |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.36; 532.78] | J/mol×K | [705.55; 959.02] | 
|
| Cp,gas | 465.36 | J/mol×K | 705.55 | Joback Calculated Property |
| Cp,gas | 479.42 | J/mol×K | 747.80 | Joback Calculated Property |
| Cp,gas | 492.19 | J/mol×K | 790.04 | Joback Calculated Property |
| Cp,gas | 503.79 | J/mol×K | 832.29 | Joback Calculated Property |
| Cp,gas | 514.34 | J/mol×K | 874.53 | Joback Calculated Property |
| Cp,gas | 523.96 | J/mol×K | 916.78 | Joback Calculated Property |
| Cp,gas | 532.78 | J/mol×K | 959.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,n-diphenyl-1-bromo-acetamide.
Sources
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