- InChI
- InChI=1S/C11H13IO3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
- InChI Key
- BORBKNSEZWJISD-UHFFFAOYSA-N
- Formula
- C11H13IO3
- SMILES
- CC(C)COC(=O)Oc1cccc(I)c1
- Molecular Weight1
- 320.12
- 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° | -138.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 181.220 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [1760.00; 1760.00] |
|
|
| Inp | 1760.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Tboil | 674.15 | K | Joback Calculated Property |
| Tc | 912.43 | K | Joback Calculated Property |
| Tfus | 390.12 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.27; 485.07] | J/mol×K | [674.15; 912.43] |
|
| Cp,gas | 420.27 | J/mol×K | 674.15 | Joback Calculated Property |
| Cp,gas | 433.35 | J/mol×K | 713.86 | Joback Calculated Property |
| Cp,gas | 445.49 | J/mol×K | 753.58 | Joback Calculated Property |
| Cp,gas | 456.72 | J/mol×K | 793.29 | Joback Calculated Property |
| Cp,gas | 467.04 | J/mol×K | 833.00 | Joback Calculated Property |
| Cp,gas | 476.49 | J/mol×K | 872.71 | Joback Calculated Property |
| Cp,gas | 485.07 | J/mol×K | 912.43 | Joback Calculated Property |
| η | [0.0001321; 0.0014397] | Pa×s | [390.12; 674.15] |
|
| η | 0.0014397 | Pa×s | 390.12 | Joback Calculated Property |
| η | 0.0007795 | Pa×s | 437.46 | Joback Calculated Property |
| η | 0.0004758 | Pa×s | 484.80 | Joback Calculated Property |
| η | 0.0003170 | Pa×s | 532.13 | Joback Calculated Property |
| η | 0.0002258 | Pa×s | 579.47 | Joback Calculated Property |
| η | 0.0001692 | Pa×s | 626.81 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 674.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodophenol, isoBOC.
Sources
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