- InChI
- InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
- InChI Key
- ZMZGFLUUZLELNE-UHFFFAOYSA-N
- Formula
- C7H3I3O2
- SMILES
- O=C(O)c1cc(I)cc(I)c1I
- Molecular Weight1
- 499.81
- CAS
- 88-82-4
- Other Names
-
- Floraltone
- Johnkolor
- Triiodobenzoic acid
- TIB
- TIBA
- 2,3,5-Triiodobenzoic acid
- 2,3,5-TIBA
- Regin 8
- Kyselina 2,3,5-trijodbenzoova
- A 20812
- NSC 2582
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6780 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.199 | Crippen Calculated Property | |
| McVol | 170.630 | ml/mol | McGowan Calculated Property |
| Pc | 4356.87 | kPa | Joback Calculated Property |
| Tboil | 628.00 | K | Relay (1.0) Calculated Property |
| Tc | 976.89 | K | Relay (1.0) Calculated Property |
| Tfus | 503.80 ± 0.20 | K | NIST |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.27; 297.22] | J/mol×K | [826.65; 1116.48] | 
|
| Cp,gas | 273.27 | J/mol×K | 826.65 | Joback Calculated Property |
| Cp,gas | 277.72 | J/mol×K | 874.95 | Joback Calculated Property |
| Cp,gas | 281.85 | J/mol×K | 923.26 | Joback Calculated Property |
| Cp,gas | 285.77 | J/mol×K | 971.56 | Joback Calculated Property |
| Cp,gas | 289.58 | J/mol×K | 1019.87 | Joback Calculated Property |
| Cp,gas | 293.36 | J/mol×K | 1068.17 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 1116.48 | Joback Calculated Property |
| η | [0.0000400; 0.0006597] | Pa×s | [517.56; 826.65] |
|
| η | 0.0006597 | Pa×s | 517.56 | Joback Calculated Property |
| η | 0.0003346 | Pa×s | 569.07 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 620.59 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 672.11 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 723.62 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 775.13 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 826.65 | Joback Calculated Property |
| ΔfusH | [32.23; 32.23] | kJ/mol | [503.80; 503.80] |
|
| ΔfusH | 32.23 | kJ/mol | 503.80 | NIST |
| ΔfusH | 32.23 | kJ/mol | 503.80 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,3,5-triiodo-.
Sources
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