- InChI
- InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h3-26H2,1-2H3
- InChI Key
- QUCVGGHWXJIKGK-UHFFFAOYSA-N
- Formula
- C28H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(=O)CC(=O
)CCCCC - Molecular Weight1
- 422.73
- 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 | 1.1981 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.527 | Crippen Calculated Property | |
| McVol | 408.520 | ml/mol | McGowan Calculated Property |
| Pc | 699.87 | kPa | Joback Calculated Property |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 648.27 | K | Relay (1.0) Calculated Property |
| Tc | 853.20 | K | Relay (1.0) Calculated Property |
| Tfus | 355.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.40; 1528.19] | J/mol×K | [947.98; 1168.71] |
|
| Cp,gas | 1409.40 | J/mol×K | 947.98 | Joback Calculated Property |
| Cp,gas | 1432.71 | J/mol×K | 984.77 | Joback Calculated Property |
| Cp,gas | 1454.50 | J/mol×K | 1021.56 | Joback Calculated Property |
| Cp,gas | 1474.85 | J/mol×K | 1058.34 | Joback Calculated Property |
| Cp,gas | 1493.86 | J/mol×K | 1095.13 | Joback Calculated Property |
| Cp,gas | 1511.61 | J/mol×K | 1131.92 | Joback Calculated Property |
| Cp,gas | 1528.19 | J/mol×K | 1168.71 | Joback Calculated Property |
| η | [0.0000292; 0.0007023] | Pa×s | [505.18; 947.98] |
|
| η | 0.0007023 | Pa×s | 505.18 | Joback Calculated Property |
| η | 0.0002949 | Pa×s | 578.98 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 652.78 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 726.58 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 800.38 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 874.18 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 947.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octacosane-6,8-dione.
Sources
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