- InChI
- InChI=1S/C20H12I2O5/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16/h1-8,11,18,23H,(H,25,26)
- InChI Key
- SGBGBWVDANLPDL-UHFFFAOYSA-N
- Formula
- C20H12I2O5
- SMILES
-
O=C1C=CC2=C(c3ccccc3C(=O)O)C3C
=CC(O)=C(I)C3OC2=C1I - Molecular Weight1
- 586.12
- 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 | 0.8422 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.713 | Crippen Calculated Property | |
| McVol | 287.210 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Tboil | 689.16 | K | Relay (1.0) Calculated Property |
| Tc | 1177.87 | K | Relay (1.0) Calculated Property |
| Tfus | 516.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.11; 863.82] | J/mol×K | [1279.86; 1570.00] | 
|
| Cp,gas | 815.11 | J/mol×K | 1279.86 | Joback Calculated Property |
| Cp,gas | 822.91 | J/mol×K | 1328.22 | Joback Calculated Property |
| Cp,gas | 830.62 | J/mol×K | 1376.57 | Joback Calculated Property |
| Cp,gas | 838.40 | J/mol×K | 1424.93 | Joback Calculated Property |
| Cp,gas | 846.42 | J/mol×K | 1473.29 | Joback Calculated Property |
| Cp,gas | 854.84 | J/mol×K | 1521.64 | Joback Calculated Property |
| Cp,gas | 863.82 | J/mol×K | 1570.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4',5'-Diiodofluorescein.
Sources
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