- InChI
- InChI=1S/C14H7NO7S/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19/h1-6H,(H,20,21,22)
- InChI Key
- JFORTLRWSWJGGI-UHFFFAOYSA-N
- Formula
- C14H7NO7S
- SMILES
-
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c
2cccc([N+](=O)[O-])c21 - Molecular Weight1
- 333.27
- CAS
- 82-50-8
- Other Names
-
- 9,10-dihydro-5-nitro-9,10-dioxoanthracenesulphonic acid
- 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° | -481.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 1.617 | Crippen Calculated Property | |
| McVol | 204.260 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 1027.58 | K | Joback Calculated Property |
| Tc | 1285.64 | K | Joback Calculated Property |
| Tfus | 755.59 | K | Joback Calculated Property |
| Vc | 0.810 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.93; 610.44] | J/mol×K | [1027.58; 1285.64] | 
|
| Cp,gas | 599.93 | J/mol×K | 1027.58 | Joback Calculated Property |
| Cp,gas | 604.75 | J/mol×K | 1070.59 | Joback Calculated Property |
| Cp,gas | 608.10 | J/mol×K | 1113.60 | Joback Calculated Property |
| Cp,gas | 610.00 | J/mol×K | 1156.61 | Joback Calculated Property |
| Cp,gas | 610.44 | J/mol×K | 1199.62 | Joback Calculated Property |
| Cp,gas | 609.42 | J/mol×K | 1242.63 | Joback Calculated Property |
| Cp,gas | 606.96 | J/mol×K | 1285.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Nitro-1-anthraquinonesulfonic acid.
Sources
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