- InChI
- InChI=1S/C19H18I2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
- InChI Key
- JGCCFSUAYKAGPF-UHFFFAOYSA-N
- Formula
- C19H18I2O4
- SMILES
-
O=C(CCCC(=O)OCc1cccc(I)c1)OCc1
cccc(I)c1 - Molecular Weight1
- 564.15
- 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° | -36.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.99 | Crippen Calculated Property | |
| logPoct/wat | 4.853 | Crippen Calculated Property | |
| McVol | 297.570 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [3422.00; 3422.00] |
|
|
| Inp | 3422.00 | NIST | |
| Inp | 3422.00 | NIST | |
| Tboil | 1036.30 | K | Joback Calculated Property |
| Tc | 1300.83 | K | Joback Calculated Property |
| Tfus | 642.21 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.42; 838.87] | J/mol×K | [1036.30; 1300.83] |
|
| Cp,gas | 798.42 | J/mol×K | 1036.30 | Joback Calculated Property |
| Cp,gas | 807.75 | J/mol×K | 1080.39 | Joback Calculated Property |
| Cp,gas | 815.93 | J/mol×K | 1124.48 | Joback Calculated Property |
| Cp,gas | 823.05 | J/mol×K | 1168.57 | Joback Calculated Property |
| Cp,gas | 829.19 | J/mol×K | 1212.66 | Joback Calculated Property |
| Cp,gas | 834.43 | J/mol×K | 1256.75 | Joback Calculated Property |
| Cp,gas | 838.87 | J/mol×K | 1300.83 | Joback Calculated Property |
| η | [0.0000316; 0.0002530] | Pa×s | [642.21; 1036.30] |
|
| η | 0.0002530 | Pa×s | 642.21 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 707.89 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 773.57 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 839.25 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 904.94 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 970.62 | Joback Calculated Property |
| η | 0.0000316 | Pa×s | 1036.30 | Joback Calculated Property |
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Sources
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