- InChI
- InChI=1S/C15H12O3/c1-11(16)18-14-9-7-13(8-10-14)15(17)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key
- DGBLQRCFBNFTSZ-UHFFFAOYSA-N
- Formula
- C15H12O3
- SMILES
- CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1
- Molecular Weight1
- 240.25
- CAS
- 13031-44-2
- Other Names
-
- Cinnarizine M (hydroxy-benzophenone), isomer 2, acetylated
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6504 | Relay (... Calculated Property | |
| ΔfG° | -72.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -3.57 | Relay (... Calculated Property | |
| logPoct/wat | 2.843 | Crippen Calculated Property | |
| McVol | 183.700 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | [2050.00; 2050.00] |
|
|
| Inp | 2050.00 | NIST | |
| Inp | 2050.00 | NIST | |
| Inp | 2050.00 | NIST | |
| Tboil | 627.87 | K | Relay (... Calculated Property |
| Tc | 870.08 | K | Relay (... Calculated Property |
| Tfus | 350.32 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.02; 545.09] | J/mol×K | [731.10; 975.09] |
|
| Cp,gas | 480.02 | J/mol×K | 731.10 | Joback Calculated Property |
| Cp,gas | 493.68 | J/mol×K | 771.76 | Joback Calculated Property |
| Cp,gas | 506.15 | J/mol×K | 812.43 | Joback Calculated Property |
| Cp,gas | 517.48 | J/mol×K | 853.09 | Joback Calculated Property |
| Cp,gas | 527.71 | J/mol×K | 893.76 | Joback Calculated Property |
| Cp,gas | 536.90 | J/mol×K | 934.42 | Joback Calculated Property |
| Cp,gas | 545.09 | J/mol×K | 975.09 | Joback Calculated Property |
| η | [0.0001379; 0.0010757] | Pa×s | [446.26; 731.10] |
|
| η | 0.0010757 | Pa×s | 446.26 | Joback Calculated Property |
| η | 0.0006479 | Pa×s | 493.73 | Joback Calculated Property |
| η | 0.0004265 | Pa×s | 541.21 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 588.68 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 636.15 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 683.63 | Joback Calculated Property |
| η | 0.0001379 | Pa×s | 731.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetoxybenzophenone.
Sources
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