- InChI
- InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
- InChI Key
- UHKAJLSKXBADFT-UHFFFAOYSA-N
- Formula
- C9H6O2
- SMILES
- O=C1CC(=O)c2ccccc21
- Molecular Weight1
- 146.14
- CAS
- 606-23-5
- Other Names
-
- 1,3-Indandione
- 1,3-Diketohydrindene
- 1,3-Indanedione
- 1,3-Indanone
- Diketohydrindene
- Indanedione-(1,3)
- Indandione
- indan-1,3-dione
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | -49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 97.30 ± 1.80 | kJ/mol | NIST |
| ΔvapH° | 47.28 | kJ/mol | Joback Calculated Property |
| IE | 9.43 ± 0.05 | eV | NIST |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.456 | Crippen Calculated Property | |
| McVol | 106.190 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Inp | [232.00; 1358.00] |
|
|
| Inp | 1358.00 | NIST | |
| Inp | 232.60 | NIST | |
| Inp | 232.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 232.60 | NIST | |
| Tboil | 584.03 | K | Joback Calculated Property |
| Tc | 844.86 | K | Joback Calculated Property |
| Tfus | 403.00 ± 3.00 | K | NIST |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.93; 309.42] | J/mol×K | [584.03; 844.86] |
|
| Cp,gas | 244.93 | J/mol×K | 584.03 | Joback Calculated Property |
| Cp,gas | 257.77 | J/mol×K | 627.50 | Joback Calculated Property |
| Cp,gas | 269.78 | J/mol×K | 670.97 | Joback Calculated Property |
| Cp,gas | 280.95 | J/mol×K | 714.44 | Joback Calculated Property |
| Cp,gas | 291.28 | J/mol×K | 757.91 | Joback Calculated Property |
| Cp,gas | 300.77 | J/mol×K | 801.38 | Joback Calculated Property |
| Cp,gas | 309.42 | J/mol×K | 844.86 | Joback Calculated Property |
| ΔfusH | 21.80 | kJ/mol | 401.50 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indene-1,3(2H)-dione.
Sources
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