- InChI
- InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3
- InChI Key
- CJHBQGYRPYRMEB-UHFFFAOYSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCCCCCCCCCC(=O)CC(=O)CCCC
- Molecular Weight1
- 310.51
- 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 | 0.9176 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.406 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1102.28 | kPa | Joback Calculated Property |
| Inp | [2277.60; 2277.60] |
|
|
| Inp | 2277.60 | NIST | |
| Inp | 2277.60 | NIST | |
| Tboil | 596.47 | K | Relay (1.0) Calculated Property |
| Tc | 797.60 | K | Relay (1.0) Calculated Property |
| Tfus | 339.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.61; 1029.19] | 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 | -5.74000e-01 | |||
| Coefficient B | 1.84784e+00 | |||
| Coefficient C | -1.02680e-03 | |||
| Coefficient D | 2.08720e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 431.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 533.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 625.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 707.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 780.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 844.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 900.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 949.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 992.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1029.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018113; 0.0001637] | Pa×s | [415.02; 660.21] |
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 | -1.27857e+01 | |||
| Coefficient B | 2.68602e+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. | 415.02 | |||
| Temperature range, max. | 660.21 | |||
| η | 0.0018113 | Pa×s | 415.02 | Calculated Property |
| η | 0.0012158 | Pa×s | 442.26 | Calculated Property |
| η | 0.0008547 | Pa×s | 469.51 | Calculated Property |
| η | 0.0006245 | Pa×s | 496.75 | Calculated Property |
| η | 0.0004715 | Pa×s | 523.99 | Calculated Property |
| η | 0.0003659 | Pa×s | 551.24 | Calculated Property |
| η | 0.0002909 | Pa×s | 578.48 | Calculated Property |
| η | 0.0002361 | Pa×s | 605.72 | Calculated Property |
| η | 0.0001951 | Pa×s | 632.96 | Calculated Property |
| η | 0.0001637 | Pa×s | 660.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Icosane-5,7-dione.
Sources
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