- InChI
- InChI=1S/C12H15I3O/c1-8(2)3-4-16-7-9-5-10(13)6-11(14)12(9)15/h5-6,8H,3-4,7H2,1-2H3
- InChI Key
- VUHFDIODWHOJHV-UHFFFAOYSA-N
- Formula
- C12H15I3O
- SMILES
- CC(C)CCOCc1cc(I)cc(I)c1I
- Molecular Weight1
- 555.96
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5673 | Relay (... Calculated Property | |
| ΔfG° | 200.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.26 | eV | Relay (... Calculated Property |
| log10WS | -6.29 | Relay (... Calculated Property | |
| logPoct/wat | 5.063 | Crippen Calculated Property | |
| McVol | 239.510 | ml/mol | McGowan Calculated Property |
| Pc | 2145.33 | kPa | Joback Calculated Property |
| Inp | [2567.00; 2567.00] |
|
|
| Inp | 2567.00 | NIST | |
| Inp | 2567.00 | NIST | |
| Tboil | 649.64 | K | Relay (... Calculated Property |
| Tc | 888.43 | K | Relay (... Calculated Property |
| Tfus | 316.20 | K | Relay (... Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.43; 575.23] | J/mol×K | [816.98; 1098.55] |
|
| Cp,gas | 515.43 | J/mol×K | 816.98 | Joback Calculated Property |
| Cp,gas | 527.46 | J/mol×K | 863.91 | Joback Calculated Property |
| Cp,gas | 538.55 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 548.77 | J/mol×K | 957.76 | Joback Calculated Property |
| Cp,gas | 558.24 | J/mol×K | 1004.69 | Joback Calculated Property |
| Cp,gas | 567.03 | J/mol×K | 1051.62 | Joback Calculated Property |
| Cp,gas | 575.23 | J/mol×K | 1098.55 | Joback Calculated Property |
| η | [0.0000805; 0.0008004] | Pa×s | [470.39; 816.98] |
|
| η | 0.0008004 | Pa×s | 470.39 | Joback Calculated Property |
| η | 0.0004428 | Pa×s | 528.15 | Joback Calculated Property |
| η | 0.0002753 | Pa×s | 585.92 | Joback Calculated Property |
| η | 0.0001864 | Pa×s | 643.68 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 701.45 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 759.22 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 816.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Triiodobenzyl alcohol, 3-methylbutyl ether.
Sources
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