- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.32; 1441.91] | 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 | -7.84600e+00 | |||
| Coefficient B | 2.60784e+00 | |||
| Coefficient C | -1.46200e-03 | |||
| Coefficient D | 3.03920e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 601.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 745.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 874.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 989.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1091.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1181.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1260.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1330.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1390.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1441.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007023; 0.0000520] | Pa×s | [505.18; 818.09] |
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 | -1.40692e+01 | |||
| Coefficient B | 3.43930e+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. | 505.18 | |||
| Temperature range, max. | 818.09 | |||
| η | 0.0007023 | Pa×s | 505.18 | Calculated Property |
| η | 0.0004530 | Pa×s | 539.95 | Calculated Property |
| η | 0.0003082 | Pa×s | 574.72 | Calculated Property |
| η | 0.0002190 | Pa×s | 609.48 | Calculated Property |
| η | 0.0001615 | Pa×s | 644.25 | Calculated Property |
| η | 0.0001229 | Pa×s | 679.02 | Calculated Property |
| η | 0.0000960 | Pa×s | 713.79 | Calculated Property |
| η | 0.0000768 | Pa×s | 748.56 | Calculated Property |
| η | 0.0000626 | Pa×s | 783.33 | Calculated Property |
| η | 0.0000520 | Pa×s | 818.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Octacosane-6,8-dione.
Sources
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