- InChI
- InChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
- InChI Key
- QEZZCWMQXHXAFG-UHFFFAOYSA-N
- Formula
- C10H9NO3S
- SMILES
- Nc1cccc2ccc(S(=O)(=O)O)cc12
- Molecular Weight1
- 223.25
- CAS
- 119-28-8
- Other Names
-
- 8-Amino-2-naphthalenesulfonic acid
- 8-Aminonaphthalene-2-sulfonic acid
- 1-Naphthylamine-7-sulfonic acid
- 1-Amino-7-naphthalenesulfonic acid
- 2-Naphthalenesulfonic acid, 8-amino-
- C.I. 26135
- Cleve's theta-acid
- 1-Amino-7-sulfonaphthalene
- 1-Aminonaphthalene-7-sulfonic acid
- 8-Naphthylamine-2-sulfonic acid
- «alpha»-Naphthylamine 7-sulfonic acid
- NSC 4983
- 1-Naphthylamino-7-sulfonic acid
- 8-aminonaphthalene-2-sulphonic 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° | -305.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 1.669 | Crippen Calculated Property | |
| McVol | 152.480 | ml/mol | McGowan Calculated Property |
| Pc | 5670.27 | kPa | Joback Calculated Property |
| Tboil | 696.31 | K | Joback Calculated Property |
| Tc | 915.54 | K | Joback Calculated Property |
| Tfus | 469.26 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.65; 431.79] | J/mol×K | [696.31; 915.54] | 
|
| Cp,gas | 384.65 | J/mol×K | 696.31 | Joback Calculated Property |
| Cp,gas | 394.35 | J/mol×K | 732.85 | Joback Calculated Property |
| Cp,gas | 403.26 | J/mol×K | 769.39 | Joback Calculated Property |
| Cp,gas | 411.43 | J/mol×K | 805.93 | Joback Calculated Property |
| Cp,gas | 418.88 | J/mol×K | 842.47 | Joback Calculated Property |
| Cp,gas | 425.66 | J/mol×K | 879.00 | Joback Calculated Property |
| Cp,gas | 431.79 | J/mol×K | 915.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Cleve's acid.
Sources
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