- InChI
- InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
- InChI Key
- OBRGVMYQZVQHGO-UHFFFAOYSA-N
- Formula
- C20H10Br4O4
- SMILES
-
O=C1OC(c2cc(Br)c(O)c(Br)c2)(c2
cc(Br)c(O)c(Br)c2)c2ccccc21 - Molecular Weight1
- 633.91
- CAS
- 76-62-0
- Other Names
-
- Phenolphthalein, 3',3'',5',5''-tetrabromo-
- Tetrabromophenolphthalein
- 3',3'',5',5''-Tetrabromophenolphthalein
- 3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide
- 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).
- 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° | 1.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 6.610 | Crippen Calculated Property | |
| McVol | 299.700 | ml/mol | McGowan Calculated Property |
| Pc | 4789.21 | kPa | Joback Calculated Property |
| Tboil | 1289.57 | K | Joback Calculated Property |
| Tc | 1612.31 | K | Joback Calculated Property |
| Tfus | 1056.29 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [954.31; 1405.53] | J/mol×K | [1289.57; 1612.31] | 
|
| Cp,gas | 954.31 | J/mol×K | 1289.57 | Joback Calculated Property |
| Cp,gas | 1007.49 | J/mol×K | 1343.36 | Joback Calculated Property |
| Cp,gas | 1068.41 | J/mol×K | 1397.15 | Joback Calculated Property |
| Cp,gas | 1137.88 | J/mol×K | 1450.94 | Joback Calculated Property |
| Cp,gas | 1216.68 | J/mol×K | 1504.73 | Joback Calculated Property |
| Cp,gas | 1305.63 | J/mol×K | 1558.52 | Joback Calculated Property |
| Cp,gas | 1405.53 | J/mol×K | 1612.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-.
Sources
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