- InChI
- InChI=1S/C20H29IO5/c1-3-25-19(22)10-8-6-4-5-7-9-11-20(23)26-15-16-12-13-18(24-2)17(21)14-16/h12-14H,3-11,15H2,1-2H3
- InChI Key
- LDCAEBUDFNXFCO-UHFFFAOYSA-N
- Formula
- C20H29IO5
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCc1ccc(O
C)c(I)c1 - Molecular Weight1
- 476.35
- 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° | -304.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.81 | kJ/mol | Joback Calculated Property |
| log10WS | -6.37 | Crippen Calculated Property | |
| logPoct/wat | 5.027 | Crippen Calculated Property | |
| McVol | 315.470 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | [3022.00; 3022.00] |
|
|
| Inp | 3022.00 | NIST | |
| Inp | 3022.00 | NIST | |
| Tboil | 961.78 | K | Joback Calculated Property |
| Tc | 1183.54 | K | Joback Calculated Property |
| Tfus | 591.23 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.74; 1014.41] | J/mol×K | [961.78; 1183.54] |
|
| Cp,gas | 955.74 | J/mol×K | 961.78 | Joback Calculated Property |
| Cp,gas | 968.83 | J/mol×K | 998.74 | Joback Calculated Property |
| Cp,gas | 980.56 | J/mol×K | 1035.70 | Joback Calculated Property |
| Cp,gas | 990.97 | J/mol×K | 1072.66 | Joback Calculated Property |
| Cp,gas | 1000.07 | J/mol×K | 1109.62 | Joback Calculated Property |
| Cp,gas | 1007.88 | J/mol×K | 1146.58 | Joback Calculated Property |
| Cp,gas | 1014.41 | J/mol×K | 1183.54 | Joback Calculated Property |
| η | [0.0000291; 0.0002564] | Pa×s | [591.23; 961.78] |
|
| η | 0.0002564 | Pa×s | 591.23 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 652.99 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 714.75 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 776.50 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 838.26 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 900.02 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 961.78 | Joback Calculated Property |
Similar Compounds
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Sources
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