- InChI
- InChI=1S/C17H16O2/c1-13(18)17(15-10-6-3-7-11-15)16(19)12-14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
- InChI Key
- ZRPKYWOSTUYAPU-UHFFFAOYSA-N
- Formula
- C17H16O2
- SMILES
-
CC(=O)C(C(=O)Cc1ccccc1)c1ccccc
1 - Molecular Weight1
- 252.31
- CAS
- 19588-08-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 56.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.171 | Crippen Calculated Property | |
| McVol | 206.010 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Tboil | 749.02 | K | Joback Calculated Property |
| Tc | 990.71 | K | Joback Calculated Property |
| Tfus | 419.05 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.09; 635.81] | J/mol×K | [749.02; 990.71] | 
|
| Cp,gas | 562.09 | J/mol×K | 749.02 | Joback Calculated Property |
| Cp,gas | 577.33 | J/mol×K | 789.30 | Joback Calculated Property |
| Cp,gas | 591.27 | J/mol×K | 829.58 | Joback Calculated Property |
| Cp,gas | 604.00 | J/mol×K | 869.86 | Joback Calculated Property |
| Cp,gas | 615.61 | J/mol×K | 910.15 | Joback Calculated Property |
| Cp,gas | 626.18 | J/mol×K | 950.43 | Joback Calculated Property |
| Cp,gas | 635.81 | J/mol×K | 990.71 | Joback Calculated Property |
| η | [0.0001298; 0.0018128] | Pa×s | [419.05; 749.02] |
|
| η | 0.0018128 | Pa×s | 419.05 | Joback Calculated Property |
| η | 0.0009053 | Pa×s | 474.05 | Joback Calculated Property |
| η | 0.0005223 | Pa×s | 529.04 | Joback Calculated Property |
| η | 0.0003342 | Pa×s | 584.03 | Joback Calculated Property |
| η | 0.0002309 | Pa×s | 639.03 | Joback Calculated Property |
| η | 0.0001692 | Pa×s | 694.02 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 749.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diphenyl-2,4-pentanedione.
Sources
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