- InChI
- InChI=1S/C24H28I2O4/c25-21-13-9-19(10-14-21)17-29-23(27)7-5-3-1-2-4-6-8-24(28)30-18-20-11-15-22(26)16-12-20/h9-16H,1-8,17-18H2
- InChI Key
- XKCDVIUBMFPZKE-UHFFFAOYSA-N
- Formula
- C24H28I2O4
- SMILES
-
O=C(CCCCCCCCC(=O)OCc1ccc(I)cc1
)OCc1ccc(I)cc1 - Molecular Weight1
- 634.29
- 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 | 1.0772 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.803 | Crippen Calculated Property | |
| McVol | 368.020 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [3719.00; 3719.00] |
|
|
| Inp | 3719.00 | NIST | |
| Inp | 3719.00 | NIST | |
| Tboil | 750.20 | K | Relay (1.0) Calculated Property |
| Tc | 1001.93 | K | Relay (1.0) Calculated Property |
| Tfus | 358.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.272 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.82; 1138.51] | J/mol×K | [1150.70; 1412.68] |
|
| Cp,gas | 1092.82 | J/mol×K | 1150.70 | Joback Calculated Property |
| Cp,gas | 1102.90 | J/mol×K | 1194.36 | Joback Calculated Property |
| Cp,gas | 1111.83 | J/mol×K | 1238.03 | Joback Calculated Property |
| Cp,gas | 1119.75 | J/mol×K | 1281.69 | Joback Calculated Property |
| Cp,gas | 1126.76 | J/mol×K | 1325.35 | Joback Calculated Property |
| Cp,gas | 1132.97 | J/mol×K | 1369.02 | Joback Calculated Property |
| Cp,gas | 1138.51 | J/mol×K | 1412.68 | Joback Calculated Property |
| η | [0.0000141; 0.0001327] | Pa×s | [698.56; 1150.70] |
|
| η | 0.0001327 | Pa×s | 698.56 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 773.92 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 849.27 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 924.63 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 999.99 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 1075.34 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 1150.70 | Joback Calculated Property |
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Sources
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