- InChI
- InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h3-20H2,1-2H3
- InChI Key
- JFNKGJXCTSFELO-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
- CCCCCCCCCCCCCCC(=O)CC(=O)CCCCC
- Molecular Weight1
- 338.58
- 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 | 0.9878 | Relay (1.0) Calculated Property | |
| ΔfG° | -123.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.186 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 974.13 | kPa | Joback Calculated Property |
| Inp | [2482.20; 2482.20] |
|
|
| Inp | 2482.20 | NIST | |
| Inp | 2482.20 | NIST | |
| Tboil | 609.90 | K | Relay (1.0) Calculated Property |
| Tc | 813.38 | K | Relay (1.0) Calculated Property |
| Tfus | 343.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.241 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.03; 1132.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.39200e+00 | |||
| Coefficient B | 2.03784e+00 | |||
| Coefficient C | -1.13560e-03 | |||
| Coefficient D | 2.32520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 474.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 586.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 687.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 778.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 858.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 928.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 990.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1044.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1091.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1132.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014616; 0.0001275] | Pa×s | [437.56; 696.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.30973e+01 | |||
| Coefficient B | 2.87434e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 437.56 | |||
| Temperature range, max. | 696.00 | |||
| η | 0.0014616 | Pa×s | 437.56 | Calculated Property |
| η | 0.0009753 | Pa×s | 466.28 | Calculated Property |
| η | 0.0006820 | Pa×s | 494.99 | Calculated Property |
| η | 0.0004961 | Pa×s | 523.71 | Calculated Property |
| η | 0.0003729 | Pa×s | 552.42 | Calculated Property |
| η | 0.0002884 | Pa×s | 581.14 | Calculated Property |
| η | 0.0002285 | Pa×s | 609.86 | Calculated Property |
| η | 0.0001848 | Pa×s | 638.57 | Calculated Property |
| η | 0.0001523 | Pa×s | 667.29 | Calculated Property |
| η | 0.0001275 | Pa×s | 696.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosane-6,8-dione.
Sources
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