- InChI
- InChI=1S/C21H31IO4/c1-17(2)15-25-20(23)12-7-5-3-4-6-8-13-21(24)26-16-18-10-9-11-19(22)14-18/h9-11,14,17H,3-8,12-13,15-16H2,1-2H3
- InChI Key
- CYGQBYQWRJKXMY-UHFFFAOYSA-N
- Formula
- C21H31IO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
ccc(I)c1 - Molecular Weight1
- 474.37
- 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 | 0.9910 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.654 | Crippen Calculated Property | |
| McVol | 323.690 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | [2937.00; 2937.00] |
|
|
| Inp | 2937.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Tboil | 683.34 | K | Relay (1.0) Calculated Property |
| Tc | 888.24 | K | Relay (1.0) Calculated Property |
| Tfus | 303.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.169 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.51; 1056.60] | J/mol×K | [956.82; 1178.71] |
|
| Cp,gas | 989.51 | J/mol×K | 956.82 | Joback Calculated Property |
| Cp,gas | 1003.67 | J/mol×K | 993.80 | Joback Calculated Property |
| Cp,gas | 1016.58 | J/mol×K | 1030.78 | Joback Calculated Property |
| Cp,gas | 1028.28 | J/mol×K | 1067.77 | Joback Calculated Property |
| Cp,gas | 1038.82 | J/mol×K | 1104.75 | Joback Calculated Property |
| Cp,gas | 1048.25 | J/mol×K | 1141.73 | Joback Calculated Property |
| Cp,gas | 1056.60 | J/mol×K | 1178.71 | Joback Calculated Property |
| η | [0.0000302; 0.0004055] | Pa×s | [552.75; 956.82] |
|
| η | 0.0004055 | Pa×s | 552.75 | Joback Calculated Property |
| η | 0.0002079 | Pa×s | 620.10 | Joback Calculated Property |
| η | 0.0001215 | Pa×s | 687.44 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 754.78 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 822.13 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 889.47 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 956.82 | Joback Calculated Property |
Similar Compounds
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Sources
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