- InChI
- InChI=1S/C11H13I3O/c1-3-7(2)15-6-8-4-9(12)5-10(13)11(8)14/h4-5,7H,3,6H2,1-2H3
- InChI Key
- RXTSACVWNZKFKZ-UHFFFAOYSA-N
- Formula
- C11H13I3O
- SMILES
- CCC(C)OCc1cc(I)cc(I)c1I
- Molecular Weight1
- 541.93
- 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 | 0.5068 | Relay (... Calculated Property | |
| ΔfG° | 192.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -5.48 | Relay (... Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 225.420 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | 2438.00 | NIST | |
| Tboil | 637.45 | K | Relay (... Calculated Property |
| Tc | 871.58 | K | Relay (... Calculated Property |
| Tfus | 310.23 | K | Relay (... Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.01; 519.31] | J/mol×K | [794.10; 1083.19] | 
|
| Cp,gas | 463.01 | J/mol×K | 794.10 | Joback Calculated Property |
| Cp,gas | 474.42 | J/mol×K | 842.28 | Joback Calculated Property |
| Cp,gas | 484.89 | J/mol×K | 890.46 | Joback Calculated Property |
| Cp,gas | 494.53 | J/mol×K | 938.65 | Joback Calculated Property |
| Cp,gas | 503.42 | J/mol×K | 986.83 | Joback Calculated Property |
| Cp,gas | 511.65 | J/mol×K | 1035.01 | Joback Calculated Property |
| Cp,gas | 519.31 | J/mol×K | 1083.19 | Joback Calculated Property |
| η | [0.0000931; 0.0008857] | Pa×s | [459.12; 794.10] |
|
| η | 0.0008857 | Pa×s | 459.12 | Joback Calculated Property |
| η | 0.0004964 | Pa×s | 514.95 | Joback Calculated Property |
| η | 0.0003115 | Pa×s | 570.78 | Joback Calculated Property |
| η | 0.0002125 | Pa×s | 626.61 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 682.44 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 738.27 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 794.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Triiodobenzyl alcohol, 1-methylpropyl ether.
Sources
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