- InChI
- InChI=1S/C20H29IO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-16-17-11-13-18(21)14-12-17/h11-14H,2-10,15-16H2,1H3
- InChI Key
- XJBNKSRNLFWHCD-UHFFFAOYSA-N
- Formula
- C20H29IO4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(
I)cc1 - Molecular Weight1
- 460.35
- 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° | -189.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 5.408 | Crippen Calculated Property | |
| McVol | 309.600 | ml/mol | McGowan Calculated Property |
| Pc | 1320.39 | kPa | Joback Calculated Property |
| Inp | [2910.00; 2910.00] |
|
|
| Inp | 2910.00 | NIST | |
| Inp | 2910.00 | NIST | |
| Tboil | 934.38 | K | Joback Calculated Property |
| Tc | 1153.60 | K | Joback Calculated Property |
| Tfus | 556.48 | K | Joback Calculated Property |
| Vc | 1.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [929.57; 996.37] | J/mol×K | [934.38; 1153.60] |
|
| Cp,gas | 929.57 | J/mol×K | 934.38 | Joback Calculated Property |
| Cp,gas | 943.53 | J/mol×K | 970.92 | Joback Calculated Property |
| Cp,gas | 956.30 | J/mol×K | 1007.45 | Joback Calculated Property |
| Cp,gas | 967.93 | J/mol×K | 1043.99 | Joback Calculated Property |
| Cp,gas | 978.46 | J/mol×K | 1080.53 | Joback Calculated Property |
| Cp,gas | 987.92 | J/mol×K | 1117.07 | Joback Calculated Property |
| Cp,gas | 996.37 | J/mol×K | 1153.60 | Joback Calculated Property |
| η | [0.0000387; 0.0004156] | Pa×s | [556.48; 934.38] |
|
| η | 0.0004156 | Pa×s | 556.48 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 619.46 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 682.45 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 745.43 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 808.41 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 871.40 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 934.38 | Joback Calculated Property |
Similar Compounds
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Sources
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