- InChI
- InChI=1S/C18H16O2/c1-13-14(2)18(20-17(13)19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3
- InChI Key
- QXCGXLHXTZBVQU-UHFFFAOYSA-N
- Formula
- C18H16O2
- SMILES
-
CC1=C(C)C(c2ccccc2)(c2ccccc2)O
C1=O - Molecular Weight1
- 264.32
- 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° | 158.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.823 | Crippen Calculated Property | |
| McVol | 209.240 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | 1815.00 | NIST | |
| Tboil | 784.01 | K | Joback Calculated Property |
| Tc | 1055.99 | K | Joback Calculated Property |
| Tfus | 500.85 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.81; 703.02] | J/mol×K | [784.01; 1055.99] | 
|
| Cp,gas | 600.81 | J/mol×K | 784.01 | Joback Calculated Property |
| Cp,gas | 619.29 | J/mol×K | 829.34 | Joback Calculated Property |
| Cp,gas | 636.88 | J/mol×K | 874.67 | Joback Calculated Property |
| Cp,gas | 653.81 | J/mol×K | 920.00 | Joback Calculated Property |
| Cp,gas | 670.32 | J/mol×K | 965.33 | Joback Calculated Property |
| Cp,gas | 686.65 | J/mol×K | 1010.66 | Joback Calculated Property |
| Cp,gas | 703.02 | J/mol×K | 1055.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethyl-5,5-diphenyl-2(5H)-furanone.
Sources
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