- InChI
- InChI=1S/C13H10BrNO/c14-11-5-9-7-3-1-2-4-8(7)13(16)10(9)6-12(11)15/h1-6,13,16H,15H2
- InChI Key
- UOKLBOQEDRSRDJ-UHFFFAOYSA-N
- Formula
- C13H10BrNO
- SMILES
- Nc1cc2c(cc1Br)-c1ccccc1C2O
- Molecular Weight1
- 276.13
- CAS
- 100397-98-6
- 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° | 273.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 108.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 3.093 | Crippen Calculated Property | |
| McVol | 169.000 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 799.19 | K | Joback Calculated Property |
| Tc | 1042.23 | K | Joback Calculated Property |
| Tfus | 568.05 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.21; 489.24] | J/mol×K | [799.19; 1042.23] | 
|
| Cp,gas | 437.21 | J/mol×K | 799.19 | Joback Calculated Property |
| Cp,gas | 446.77 | J/mol×K | 839.70 | Joback Calculated Property |
| Cp,gas | 455.80 | J/mol×K | 880.20 | Joback Calculated Property |
| Cp,gas | 464.44 | J/mol×K | 920.71 | Joback Calculated Property |
| Cp,gas | 472.82 | J/mol×K | 961.22 | Joback Calculated Property |
| Cp,gas | 481.04 | J/mol×K | 1001.72 | Joback Calculated Property |
| Cp,gas | 489.24 | J/mol×K | 1042.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fluoren-9-ol, 2-amino-3-bromo-.
Sources
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