![4-[3-(4-hydroxyphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]phenol](/cid/108-285-6/4-3-4-hydroxyphenyl-1-1-dioxobenzo-c-oxathiol-3-yl-phenol.png "4-[3-(4-hydroxyphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]phenol")
- InChI
- InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
- InChI Key
- BELBBZDIHDAJOR-UHFFFAOYSA-N
- Formula
- C19H14O5S
- SMILES
-
O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(
O)cc2)c2ccccc21 - Molecular Weight1
- 354.38
- ω : Acentric Factor.
- 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).
- 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 | 0.8601 | Relay (1.0) Calculated Property | |
| ΔfG° | -365.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 161.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Aq. Solubility Prediction | |
| logPoct/wat | 3.109 | Crippen Calculated Property | |
| McVol | 242.130 | ml/mol | McGowan Calculated Property |
| Pc | 4640.32 | kPa | Joback Calculated Property |
| Tboil | 727.08 | K | Relay (1.0) Calculated Property |
| Tc | 1136.80 | K | Relay (1.0) Calculated Property |
| Tfus | 490.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.88; 882.77] | J/mol×K | [941.14; 1215.23] | 
|
| Cp,gas | 736.88 | J/mol×K | 941.14 | Joback Calculated Property |
| Cp,gas | 755.66 | J/mol×K | 986.82 | Joback Calculated Property |
| Cp,gas | 775.97 | J/mol×K | 1032.50 | Joback Calculated Property |
| Cp,gas | 798.33 | J/mol×K | 1078.19 | Joback Calculated Property |
| Cp,gas | 823.24 | J/mol×K | 1123.87 | Joback Calculated Property |
| Cp,gas | 851.21 | J/mol×K | 1169.55 | Joback Calculated Property |
| Cp,gas | 882.77 | J/mol×K | 1215.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-[3-(4-hydroxyphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]phenol.
Sources
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