- InChI
- InChI=1S/C8H6I2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
- InChI Key
- DYYAKMJJKVLJFN-UHFFFAOYSA-N
- Formula
- C8H6I2O2
- SMILES
- COC(=O)c1cc(I)ccc1I
- Molecular Weight1
- 387.94
- 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° | -8.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 2.682 | Crippen Calculated Property | |
| McVol | 158.900 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Inp | [1825.00; 1825.00] |
|
|
| Inp | 1825.00 | NIST | |
| Inp | 1825.00 | NIST | |
| Tboil | 681.65 | K | Joback Calculated Property |
| Tc | 965.17 | K | Joback Calculated Property |
| Tfus | 419.66 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.54; 329.81] | J/mol×K | [681.65; 965.17] |
|
| Cp,gas | 288.54 | J/mol×K | 681.65 | Joback Calculated Property |
| Cp,gas | 297.23 | J/mol×K | 728.90 | Joback Calculated Property |
| Cp,gas | 305.13 | J/mol×K | 776.16 | Joback Calculated Property |
| Cp,gas | 312.28 | J/mol×K | 823.41 | Joback Calculated Property |
| Cp,gas | 318.75 | J/mol×K | 870.66 | Joback Calculated Property |
| Cp,gas | 324.58 | J/mol×K | 917.92 | Joback Calculated Property |
| Cp,gas | 329.81 | J/mol×K | 965.17 | Joback Calculated Property |
| η | [0.0002093; 0.0013981] | Pa×s | [419.66; 681.65] |
|
| η | 0.0013981 | Pa×s | 419.66 | Joback Calculated Property |
| η | 0.0008776 | Pa×s | 463.32 | Joback Calculated Property |
| η | 0.0005968 | Pa×s | 506.99 | Joback Calculated Property |
| η | 0.0004315 | Pa×s | 550.65 | Joback Calculated Property |
| η | 0.0003272 | Pa×s | 594.32 | Joback Calculated Property |
| η | 0.0002577 | Pa×s | 637.98 | Joback Calculated Property |
| η | 0.0002093 | Pa×s | 681.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 2,5-diiodobenzoate.
Sources
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