- InChI
- InChI=1S/C21H31IO5/c1-3-14-26-20(23)10-8-6-4-5-7-9-11-21(24)27-16-17-12-13-19(25-2)18(22)15-17/h12-13,15H,3-11,14,16H2,1-2H3
- InChI Key
- AAPMRUSDDIAHCW-UHFFFAOYSA-N
- Formula
- C21H31IO5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(
OC)c(I)c1 - Molecular Weight1
- 490.37
- 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 | 1.0669 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.417 | Crippen Calculated Property | |
| McVol | 329.560 | ml/mol | McGowan Calculated Property |
| Pc | 1205.63 | kPa | Joback Calculated Property |
| Inp | [3086.00; 3086.00] |
|
|
| Inp | 3086.00 | NIST | |
| Inp | 3086.00 | NIST | |
| Tboil | 679.23 | K | Relay (1.0) Calculated Property |
| Tc | 895.27 | K | Relay (1.0) Calculated Property |
| Tfus | 324.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.25; 1073.58] | J/mol×K | [984.66; 1208.59] |
|
| Cp,gas | 1015.25 | J/mol×K | 984.66 | Joback Calculated Property |
| Cp,gas | 1028.43 | J/mol×K | 1021.98 | Joback Calculated Property |
| Cp,gas | 1040.19 | J/mol×K | 1059.30 | Joback Calculated Property |
| Cp,gas | 1050.57 | J/mol×K | 1096.63 | Joback Calculated Property |
| Cp,gas | 1059.57 | J/mol×K | 1133.95 | Joback Calculated Property |
| Cp,gas | 1067.24 | J/mol×K | 1171.27 | Joback Calculated Property |
| Cp,gas | 1073.58 | J/mol×K | 1208.59 | Joback Calculated Property |
| η | [0.0000249; 0.0002275] | Pa×s | [602.50; 984.66] |
|
| η | 0.0002275 | Pa×s | 602.50 | Joback Calculated Property |
| η | 0.0001320 | Pa×s | 666.19 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 729.89 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 793.58 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 857.27 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 920.97 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 984.66 | Joback Calculated Property |
Similar Compounds
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Sources
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