- InChI
- InChI=1S/C22H33IO4/c1-2-3-10-17-26-21(24)11-8-6-4-5-7-9-12-22(25)27-18-19-13-15-20(23)16-14-19/h13-16H,2-12,17-18H2,1H3
- InChI Key
- KHTPAWGPSCMQMQ-UHFFFAOYSA-N
- Formula
- C22H33IO4
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCc1cc
c(I)cc1 - Molecular Weight1
- 488.40
- 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 | 1.0606 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.189 | Crippen Calculated Property | |
| McVol | 337.780 | ml/mol | McGowan Calculated Property |
| Pc | 1153.78 | kPa | Joback Calculated Property |
| Inp | [3103.00; 3103.00] |
|
|
| Inp | 3103.00 | NIST | |
| Inp | 3103.00 | NIST | |
| Tboil | 695.61 | K | Relay (1.0) Calculated Property |
| Tc | 893.86 | K | Relay (1.0) Calculated Property |
| Tfus | 306.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.16; 1116.95] | J/mol×K | [980.14; 1202.94] |
|
| Cp,gas | 1049.16 | J/mol×K | 980.14 | Joback Calculated Property |
| Cp,gas | 1063.47 | J/mol×K | 1017.27 | Joback Calculated Property |
| Cp,gas | 1076.50 | J/mol×K | 1054.41 | Joback Calculated Property |
| Cp,gas | 1088.32 | J/mol×K | 1091.54 | Joback Calculated Property |
| Cp,gas | 1098.96 | J/mol×K | 1128.67 | Joback Calculated Property |
| Cp,gas | 1108.49 | J/mol×K | 1165.80 | Joback Calculated Property |
| Cp,gas | 1116.95 | J/mol×K | 1202.94 | Joback Calculated Property |
| η | [0.0000284; 0.0003262] | Pa×s | [579.02; 980.14] |
|
| η | 0.0003262 | Pa×s | 579.02 | Joback Calculated Property |
| η | 0.0001759 | Pa×s | 645.87 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 712.73 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 779.58 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 846.43 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 913.29 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 980.14 | Joback Calculated Property |
Similar Compounds
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Sources
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