- InChI
- InChI=1S/C25H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h3-23H2,1-2H3
- InChI Key
- ZQDADPUQAZWEGX-UHFFFAOYSA-N
- Formula
- C25H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)CC(=O)CC
CCC - Molecular Weight1
- 380.65
- CAS
- 289681-95-4
- 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° | -98.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.74 | kJ/mol | Joback Calculated Property |
| log10WS | -8.85 | Crippen Calculated Property | |
| logPoct/wat | 8.357 | Crippen Calculated Property | |
| McVol | 366.250 | ml/mol | McGowan Calculated Property |
| Pc | 820.07 | kPa | Joback Calculated Property |
| Inp | [2780.90; 2780.90] |
|
|
| Inp | 2780.90 | NIST | |
| Inp | 2780.90 | NIST | |
| Tboil | 879.14 | K | Joback Calculated Property |
| Tc | 1076.77 | K | Joback Calculated Property |
| Tfus | 471.37 | K | Joback Calculated Property |
| Vc | 1.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1215.41; 1325.03] | J/mol×K | [879.14; 1076.77] |
|
| Cp,gas | 1215.41 | J/mol×K | 879.14 | Joback Calculated Property |
| Cp,gas | 1236.55 | J/mol×K | 912.08 | Joback Calculated Property |
| Cp,gas | 1256.47 | J/mol×K | 945.02 | Joback Calculated Property |
| Cp,gas | 1275.22 | J/mol×K | 977.96 | Joback Calculated Property |
| Cp,gas | 1292.86 | J/mol×K | 1010.89 | Joback Calculated Property |
| Cp,gas | 1309.44 | J/mol×K | 1043.83 | Joback Calculated Property |
| Cp,gas | 1325.03 | J/mol×K | 1076.77 | Joback Calculated Property |
| η | [0.0000460; 0.0010282] | Pa×s | [471.37; 879.14] |
|
| η | 0.0010282 | Pa×s | 471.37 | Joback Calculated Property |
| η | 0.0004421 | Pa×s | 539.33 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 607.29 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 675.25 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 743.22 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 811.18 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 879.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane-6,8-dione.
Sources
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