- InChI
- InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h3-19H2,1-2H3
- InChI Key
- MRBZNGRWKALXEA-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCCCCCCC(=O)CC(=O)CCCCC
- Molecular Weight1
- 324.54
- CAS
- 289681-92-1
- 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° | -131.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 6.796 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 1035.23 | kPa | Joback Calculated Property |
| Inp | [2379.50; 2379.50] |
|
|
| Inp | 2379.50 | NIST | |
| Inp | 2379.50 | NIST | |
| Tboil | 787.62 | K | Joback Calculated Property |
| Tc | 968.12 | K | Joback Calculated Property |
| Tfus | 426.29 | K | Joback Calculated Property |
| Vc | 1.224 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.81; 1066.24] | J/mol×K | [787.62; 968.12] |
|
| Cp,gas | 965.81 | J/mol×K | 787.62 | Joback Calculated Property |
| Cp,gas | 984.87 | J/mol×K | 817.70 | Joback Calculated Property |
| Cp,gas | 1002.96 | J/mol×K | 847.79 | Joback Calculated Property |
| Cp,gas | 1020.10 | J/mol×K | 877.87 | Joback Calculated Property |
| Cp,gas | 1036.34 | J/mol×K | 907.95 | Joback Calculated Property |
| Cp,gas | 1051.71 | J/mol×K | 938.04 | Joback Calculated Property |
| Cp,gas | 1066.24 | J/mol×K | 968.12 | Joback Calculated Property |
| η | [0.0000818; 0.0016307] | Pa×s | [426.29; 787.62] |
|
| η | 0.0016307 | Pa×s | 426.29 | Joback Calculated Property |
| η | 0.0007274 | Pa×s | 486.51 | Joback Calculated Property |
| η | 0.0003876 | Pa×s | 546.73 | Joback Calculated Property |
| η | 0.0002340 | Pa×s | 606.96 | Joback Calculated Property |
| η | 0.0001548 | Pa×s | 667.18 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 727.40 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 787.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Henicosane-6,8-dione.
Sources
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