- InChI
- InChI=1S/C13H6N2O5/c16-13-10-4-2-7(14(17)18)5-11(10)9-3-1-8(15(19)20)6-12(9)13/h1-6H
- InChI Key
- XHBAHYMCKJTKJV-UHFFFAOYSA-N
- Formula
- C13H6N2O5
- SMILES
-
O=C1c2cc([N+](=O)[O-])ccc2-c2c
c([N+](=O)[O-])ccc21 - Molecular Weight1
- 270.20
- Other Names
-
- 2,6-dinitro-9-fluorenone
- 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° | 286.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 2.714 | Crippen Calculated Property | |
| McVol | 172.060 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Inp | 421.88 | NIST | |
| Tboil | 944.49 | K | Joback Calculated Property |
| Tc | 1237.67 | K | Joback Calculated Property |
| Tfus | 723.85 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.54; 539.71] | J/mol×K | [944.49; 1237.67] | 
|
| Cp,gas | 491.54 | J/mol×K | 944.49 | Joback Calculated Property |
| Cp,gas | 500.72 | J/mol×K | 993.35 | Joback Calculated Property |
| Cp,gas | 509.24 | J/mol×K | 1042.22 | Joback Calculated Property |
| Cp,gas | 517.25 | J/mol×K | 1091.08 | Joback Calculated Property |
| Cp,gas | 524.90 | J/mol×K | 1139.94 | Joback Calculated Property |
| Cp,gas | 532.34 | J/mol×K | 1188.80 | Joback Calculated Property |
| Cp,gas | 539.71 | J/mol×K | 1237.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dinitro-9H-fluoren-9-one.
Sources
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