- InChI
- InChI=1S/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,13H
- InChI Key
- UURMMRCWXJLUKF-UHFFFAOYSA-N
- Formula
- C16H10O3
- SMILES
-
O=C(c1ccccc1)C1C(=O)c2ccccc2C1
=O - Molecular Weight1
- 250.25
- CAS
- 1785-95-1
- Other Names
-
- 1,3-Indandione, 2-benzoyl-
- Benzoylindandione
- 2-Benzoyl-1,3-indandione
- 1H-Indene-1,3(2H)-dione, 2-benzoyl-
- 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° | -14.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.92 | Crippen Calculated Property | |
| logPoct/wat | 2.565 | Crippen Calculated Property | |
| McVol | 182.630 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 820.07 | K | Joback Calculated Property |
| Tc | 1093.68 | K | Joback Calculated Property |
| Tfus | 539.75 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.79; 586.58] | J/mol×K | [820.07; 1093.68] | 
|
| Cp,gas | 525.79 | J/mol×K | 820.07 | Joback Calculated Property |
| Cp,gas | 539.69 | J/mol×K | 865.67 | Joback Calculated Property |
| Cp,gas | 552.02 | J/mol×K | 911.27 | Joback Calculated Property |
| Cp,gas | 562.84 | J/mol×K | 956.87 | Joback Calculated Property |
| Cp,gas | 572.18 | J/mol×K | 1002.47 | Joback Calculated Property |
| Cp,gas | 580.08 | J/mol×K | 1048.08 | Joback Calculated Property |
| Cp,gas | 586.58 | J/mol×K | 1093.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzoyl-1,3-indanedione.
Sources
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