- InChI
- InChI=1S/C15H13ClO4/c1-19-10-5-3-9(4-6-10)15(18)11-7-12(16)14(20-2)8-13(11)17/h3-8,17H,1-2H3
- InChI Key
- VDMMBVHCLKJIIL-UHFFFAOYSA-N
- Formula
- C15H13ClO4
- SMILES
-
COc1ccc(C(=O)c2cc(Cl)c(OC)cc2O
)cc1 - Molecular Weight1
- 292.71
- CAS
- 136741-44-1
- 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).
- 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 | 0.8221 | Relay (... Calculated Property | |
| ΔfG° | -234.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.09 | eV | Relay (... Calculated Property |
| log10WS | -4.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.294 | Crippen Calculated Property | |
| McVol | 206.110 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 635.97 | K | Relay (... Calculated Property |
| Tc | 940.28 | K | Relay (... Calculated Property |
| Tfus | 408.26 | K | Relay (... Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.08; 618.97] | J/mol×K | [827.66; 1073.00] | 
|
| Cp,gas | 559.08 | J/mol×K | 827.66 | Joback Calculated Property |
| Cp,gas | 570.96 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 581.99 | J/mol×K | 909.44 | Joback Calculated Property |
| Cp,gas | 592.24 | J/mol×K | 950.33 | Joback Calculated Property |
| Cp,gas | 601.77 | J/mol×K | 991.22 | Joback Calculated Property |
| Cp,gas | 610.66 | J/mol×K | 1032.11 | Joback Calculated Property |
| Cp,gas | 618.97 | J/mol×K | 1073.00 | Joback Calculated Property |
| η | [0.0000053; 0.0000594] | Pa×s | [585.24; 827.66] |
|
| η | 0.0000594 | Pa×s | 585.24 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 625.64 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 666.05 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 706.45 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 746.85 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 787.26 | Joback Calculated Property |
| η | 0.0000053 | Pa×s | 827.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzophenone, 5-chloro-2-hydroxy-4,4'-dimethoxy-.
Sources
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