- InChI
- InChI=1S/C7H5I3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
- InChI Key
- KFZNKUWVRXKLJP-UHFFFAOYSA-N
- Formula
- C7H5I3O
- SMILES
- OCc1cc(I)cc(I)c1I
- Molecular Weight1
- 485.83
- CAS
- 31075-53-3
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 129.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 92.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.24 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 2.993 | Crippen Calculated Property | |
| McVol | 169.060 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | 2402.00 | NIST | |
| Tboil | 772.78 | K | Joback Calculated Property |
| Tc | 1059.35 | K | Joback Calculated Property |
| Tfus | 467.63 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.11; 304.73] | J/mol×K | [772.78; 1059.35] | 
|
| Cp,gas | 275.11 | J/mol×K | 772.78 | Joback Calculated Property |
| Cp,gas | 280.70 | J/mol×K | 820.54 | Joback Calculated Property |
| Cp,gas | 285.90 | J/mol×K | 868.30 | Joback Calculated Property |
| Cp,gas | 290.80 | J/mol×K | 916.06 | Joback Calculated Property |
| Cp,gas | 295.51 | J/mol×K | 963.83 | Joback Calculated Property |
| Cp,gas | 300.12 | J/mol×K | 1011.59 | Joback Calculated Property |
| Cp,gas | 304.73 | J/mol×K | 1059.35 | Joback Calculated Property |
| η | [0.0000456; 0.0009811] | Pa×s | [467.63; 772.78] |
|
| η | 0.0009811 | Pa×s | 467.63 | Joback Calculated Property |
| η | 0.0004577 | Pa×s | 518.49 | Joback Calculated Property |
| η | 0.0002447 | Pa×s | 569.35 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 620.20 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 671.06 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 721.92 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 772.78 | Joback Calculated Property |
Similar Compounds
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Sources
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