- InChI
- InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H
- InChI Key
- FEMOMIGRRWSMCU-UHFFFAOYSA-N
- Formula
- C9H6O4
- SMILES
- O=C1c2ccccc2C(=O)C1(O)O
- Molecular Weight1
- 178.14
- CAS
- 485-47-2
- Other Names
-
- 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-
- 1,3-Indandione, 2,2-dihydroxy-
- Ningidrin
- Ninhydrin hydrate
- Triketohydrindene hydrate
- 2,2-Dihydroxy-1,3-indandione
- 2,2-Dihydroxy-1H-indene-1,3(2H)-dione
- 1,2,3-Indantrione, 2-hydrate
- 1,2,3-Indantrione monohydrate
- 1H-Indene-1,2,3-trione, 2-hydrate
- indan-1,2,3-trione
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8474 | Relay (... Calculated Property | |
| ΔfG° | -335.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.48 | eV | Relay (... Calculated Property |
| log10WS | -1.97 | Relay (... Calculated Property | |
| logPoct/wat | -0.254 | Crippen Calculated Property | |
| McVol | 117.930 | ml/mol | McGowan Calculated Property |
| Pc | 5594.19 | kPa | Joback Calculated Property |
| Tboil | 560.03 | K | Relay (... Calculated Property |
| Tc | 899.47 | K | Relay (... Calculated Property |
| Tfus | 387.47 | K | Relay (... Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.92; 382.23] | J/mol×K | [763.96; 989.71] | 
|
| Cp,gas | 328.92 | J/mol×K | 763.96 | Joback Calculated Property |
| Cp,gas | 337.96 | J/mol×K | 801.58 | Joback Calculated Property |
| Cp,gas | 346.81 | J/mol×K | 839.21 | Joback Calculated Property |
| Cp,gas | 355.57 | J/mol×K | 876.83 | Joback Calculated Property |
| Cp,gas | 364.33 | J/mol×K | 914.46 | Joback Calculated Property |
| Cp,gas | 373.19 | J/mol×K | 952.08 | Joback Calculated Property |
| Cp,gas | 382.23 | J/mol×K | 989.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ninhydrin.
Sources
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