- InChI
- InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
- InChI Key
- PIHGQKMEAMSUNA-UHFFFAOYSA-N
- Formula
- C16H9NO2
- SMILES
-
O=[N+]([O-])c1ccc2c3c(cccc13)-
c1ccccc1-2 - Molecular Weight1
- 247.25
- CAS
- 892-21-7
- Other Names
-
- 3-Nitrofluoranthene
- 4-Nitrofluoranthene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 517.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 345.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.35 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen Calculated Property | |
| logPoct/wat | 4.395 | Crippen Calculated Property | |
| McVol | 175.880 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Inp | [411.89; 2433.00] |
|
|
| Inp | Outlier 2433.00 | NIST | |
| Inp | 412.45 | NIST | |
| Inp | 413.34 | NIST | |
| Inp | 411.89 | NIST | |
| Inp | 413.24 | NIST | |
| Inp | 413.33 | NIST | |
| Inp | 413.34 | NIST | |
| Inp | 419.80 | NIST | |
| Inp | 423.90 | NIST | |
| Inp | 411.89 | NIST | |
| Inp | 423.90 | NIST | |
| Inp | 412.45 | NIST | |
| Inp | Outlier 2433.00 | NIST | |
| Tboil | 808.18 | K | Joback Calculated Property |
| Tc | 1082.43 | K | Joback Calculated Property |
| Tfus | 582.05 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.39; 538.85] | J/mol×K | [808.18; 1082.43] |
|
| Cp,gas | 473.39 | J/mol×K | 808.18 | Joback Calculated Property |
| Cp,gas | 484.71 | J/mol×K | 853.89 | Joback Calculated Property |
| Cp,gas | 495.53 | J/mol×K | 899.60 | Joback Calculated Property |
| Cp,gas | 506.09 | J/mol×K | 945.31 | Joback Calculated Property |
| Cp,gas | 516.66 | J/mol×K | 991.01 | Joback Calculated Property |
| Cp,gas | 527.49 | J/mol×K | 1036.72 | Joback Calculated Property |
| Cp,gas | 538.85 | J/mol×K | 1082.43 | Joback Calculated Property |
| ΔfusH | 22.60 | kJ/mol | 435.00 | NIST |
Similar Compounds
Find more compounds similar to Fluoranthene, 3-nitro-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.