- InChI
- InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
- InChI Key
- JYGLAHSAISAEAL-UHFFFAOYSA-N
- Formula
- C23H16O3
- SMILES
-
O=C1c2ccccc2C(=O)C1C(=O)C(c1cc
ccc1)c1ccccc1 - Molecular Weight1
- 340.37
- CAS
- 82-66-6
- Other Names
-
- 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-
- 1,3-Indandione, 2-(diphenylacetyl)-
- Didandin
- Didion
- Dipaxin
- Diphacin
- Diphacinone
- Diphenacin
- Diphenadion
- Diphenandione
- Oragulant
- Ratindan
- Ratindan 1
- Solvan
- U 1363
- 2-(Diphenylacetyl)-1,3-diketohydrindene
- 2-(Diphenylacetyl)-1,3-indandione
- Diphac
- Promar
- PID
- Ramik
- URI 788
- 2-(Diphenylacetyl)-1H-indene-1,3-(2H)-dione
- 2-(Diphenylacetyl)indan-1,3-dione
- 2-Diphenyl-acetyl-indan-1,3-dion
- Kill-ko rat killer
- NSC 9138
- 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).
- 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° | 154.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 4.083 | Crippen Calculated Property | |
| McVol | 257.500 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | [2934.00; 2934.00] |
|
|
| Inp | 2934.00 | NIST | |
| Inp | 2934.00 | NIST | |
| Tboil | 1006.47 | K | Joback Calculated Property |
| Tc | 1287.38 | K | Joback Calculated Property |
| Tfus | 630.06 | K | Joback Calculated Property |
| Vc | 0.971 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.63; 862.61] | J/mol×K | [1006.47; 1287.38] |
|
| Cp,gas | 816.63 | J/mol×K | 1006.47 | Joback Calculated Property |
| Cp,gas | 828.41 | J/mol×K | 1053.29 | Joback Calculated Property |
| Cp,gas | 838.39 | J/mol×K | 1100.11 | Joback Calculated Property |
| Cp,gas | 846.70 | J/mol×K | 1146.92 | Joback Calculated Property |
| Cp,gas | 853.43 | J/mol×K | 1193.74 | Joback Calculated Property |
| Cp,gas | 858.69 | J/mol×K | 1240.56 | Joback Calculated Property |
| Cp,gas | 862.61 | J/mol×K | 1287.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diphenadione.
Sources
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