- InChI
- InChI=1S/C19H27IO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-15-16-11-13-17(20)14-12-16/h11-14H,2-10,15H2,1H3
- InChI Key
- BOTQKKPOOVEGPS-UHFFFAOYSA-N
- Formula
- C19H27IO4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCc1ccc(I
)cc1 - Molecular Weight1
- 446.32
- 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° | -197.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.018 | Crippen Calculated Property | |
| McVol | 295.510 | ml/mol | McGowan Calculated Property |
| Pc | 1417.57 | kPa | Joback Calculated Property |
| Inp | [2812.00; 2812.00] |
|
|
| Inp | 2812.00 | NIST | |
| Inp | 2812.00 | NIST | |
| Tboil | 911.50 | K | Joback Calculated Property |
| Tc | 1130.22 | K | Joback Calculated Property |
| Tfus | 545.21 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [870.71; 936.92] | J/mol×K | [911.50; 1130.22] |
|
| Cp,gas | 870.71 | J/mol×K | 911.50 | Joback Calculated Property |
| Cp,gas | 884.50 | J/mol×K | 947.95 | Joback Calculated Property |
| Cp,gas | 897.14 | J/mol×K | 984.41 | Joback Calculated Property |
| Cp,gas | 908.66 | J/mol×K | 1020.86 | Joback Calculated Property |
| Cp,gas | 919.11 | J/mol×K | 1057.31 | Joback Calculated Property |
| Cp,gas | 928.52 | J/mol×K | 1093.76 | Joback Calculated Property |
| Cp,gas | 936.92 | J/mol×K | 1130.22 | Joback Calculated Property |
| η | [0.0000450; 0.0004671] | Pa×s | [545.21; 911.50] |
|
| η | 0.0004671 | Pa×s | 545.21 | Joback Calculated Property |
| η | 0.0002599 | Pa×s | 606.26 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 667.31 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 728.36 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 789.40 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 850.45 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 911.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, ethyl 4-iodobenzyl ester.
Sources
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