- InChI
- InChI=1S/C12H10BrNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,15)
- InChI Key
- YTXQWCWHEKIEDH-UHFFFAOYSA-N
- Formula
- C12H10BrNO
- SMILES
- O=C(CBr)Nc1cccc2ccccc12
- Molecular Weight1
- 264.12
- 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 | 0.6571 | Relay (1.0) Calculated Property | |
| ΔfG° | 234.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.173 | Crippen Calculated Property | |
| McVol | 165.770 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Inp | 2068.00 | NIST | |
| Tboil | 640.26 | K | Relay (1.0) Calculated Property |
| Tc | 936.22 | K | Relay (1.0) Calculated Property |
| Tfus | 410.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.50; 450.86] | J/mol×K | [694.80; 942.74] | 
|
| Cp,gas | 393.50 | J/mol×K | 694.80 | Joback Calculated Property |
| Cp,gas | 405.12 | J/mol×K | 736.12 | Joback Calculated Property |
| Cp,gas | 415.77 | J/mol×K | 777.45 | Joback Calculated Property |
| Cp,gas | 425.56 | J/mol×K | 818.77 | Joback Calculated Property |
| Cp,gas | 434.60 | J/mol×K | 860.09 | Joback Calculated Property |
| Cp,gas | 443.00 | J/mol×K | 901.42 | Joback Calculated Property |
| Cp,gas | 450.86 | J/mol×K | 942.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(1-naphthyl)-2-bromo-.
Sources
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