- InChI
- InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H
- InChI Key
- YCANAXVBJKNANM-UHFFFAOYSA-N
- Formula
- C14H7NO4
- SMILES
-
O=C1c2ccccc2C(=O)c2c1cccc2[N+]
(=O)[O-] - Molecular Weight1
- 253.21
- CAS
- 82-34-8
- Other Names
-
- 1-Nitroanthrachinon
- 1-nitro-9,10-anthracenedione
- 9,10-Anthracenedione, 1-nitro-
- Anthraquinone, 1-nitro-
- «alpha»-Nitroanthraquinone
- 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).
- ΔsubH : Enthalpy of sublimation 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° | 133.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 2.370 | Crippen Calculated Property | |
| McVol | 170.300 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [394.38; 394.38] |
|
|
| Inp | 394.38 | NIST | |
| Inp | 394.38 | NIST | |
| Tboil | 882.64 | K | Joback Calculated Property |
| Tc | 1172.56 | K | Joback Calculated Property |
| Tfus | 643.69 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.16; 533.67] | J/mol×K | [882.64; 1172.56] |
|
| Cp,gas | 487.16 | J/mol×K | 882.64 | Joback Calculated Property |
| Cp,gas | 498.00 | J/mol×K | 930.96 | Joback Calculated Property |
| Cp,gas | 507.52 | J/mol×K | 979.28 | Joback Calculated Property |
| Cp,gas | 515.80 | J/mol×K | 1027.60 | Joback Calculated Property |
| Cp,gas | 522.88 | J/mol×K | 1075.92 | Joback Calculated Property |
| Cp,gas | 528.82 | J/mol×K | 1124.24 | Joback Calculated Property |
| Cp,gas | 533.67 | J/mol×K | 1172.56 | Joback Calculated Property |
| ΔsubH | [108.90; 139.70] | kJ/mol | [396.00; 423.50] |
|
| ΔsubH | 108.90 ± 2.10 | kJ/mol | 396.00 | NIST |
| ΔsubH | 139.70 | kJ/mol | 423.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Nitroanthraquinone.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Solubility of 1-aminoanthraquinone and 1-nitroanthraquinone in supercritical carbon dioxide
- Joback Method
- McGowan Method
- NIST Webbook
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