- InChI
- InChI=1S/C12H15I3O/c1-12(2,3)7-16-6-8-4-9(13)5-10(14)11(8)15/h4-5H,6-7H2,1-3H3
- InChI Key
- BIVLTHOMYUYGJA-UHFFFAOYSA-N
- Formula
- C12H15I3O
- SMILES
- CC(C)(C)COCc1cc(I)cc(I)c1I
- Molecular Weight1
- 555.96
- 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° | 205.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.73 | Crippen Calculated Property | |
| logPoct/wat | 5.063 | Crippen Calculated Property | |
| McVol | 239.510 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [2466.00; 2466.00] |
|
|
| Inp | 2466.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 814.19 | K | Joback Calculated Property |
| Tc | 1106.78 | K | Joback Calculated Property |
| Tfus | 487.81 | K | Joback Calculated Property |
| Vc | 0.871 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.84; 578.18] | J/mol×K | [814.19; 1106.78] |
|
| Cp,gas | 516.84 | J/mol×K | 814.19 | Joback Calculated Property |
| Cp,gas | 528.90 | J/mol×K | 862.96 | Joback Calculated Property |
| Cp,gas | 540.01 | J/mol×K | 911.72 | Joback Calculated Property |
| Cp,gas | 550.35 | J/mol×K | 960.49 | Joback Calculated Property |
| Cp,gas | 560.05 | J/mol×K | 1009.25 | Joback Calculated Property |
| Cp,gas | 569.28 | J/mol×K | 1058.02 | Joback Calculated Property |
| Cp,gas | 578.18 | J/mol×K | 1106.78 | Joback Calculated Property |
| η | [0.0000700; 0.0006701] | Pa×s | [487.81; 814.19] |
|
| η | 0.0006701 | Pa×s | 487.81 | Joback Calculated Property |
| η | 0.0003807 | Pa×s | 542.21 | Joback Calculated Property |
| η | 0.0002398 | Pa×s | 596.60 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 651.00 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 705.40 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 759.79 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 814.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Triiodobenzyl alcohol, neopentyl ether.
Sources
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