- InChI
- InChI=1S/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h3-24H2,1-2H3
- InChI Key
- XANVRSXHSSENGP-UHFFFAOYSA-N
- Formula
- C26H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCC(=O)CC(=O)C
CCCC - Molecular Weight1
- 394.68
- 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 | 1.1280 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.747 | Crippen Calculated Property | |
| McVol | 380.340 | ml/mol | McGowan Calculated Property |
| Pc | 776.77 | kPa | Joback Calculated Property |
| Inp | [2888.20; 2888.20] |
|
|
| Inp | 2888.20 | NIST | |
| Inp | 2888.20 | NIST | |
| Tboil | 635.69 | K | Relay (1.0) Calculated Property |
| Tc | 840.63 | K | Relay (1.0) Calculated Property |
| Tfus | 352.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.463 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.89; 1338.73] | 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 | -6.02800e+00 | |||
| Coefficient B | 2.41784e+00 | |||
| Coefficient C | -1.35320e-03 | |||
| Coefficient D | 2.80120e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 558.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 692.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 812.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 918.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1013.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1097.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1170.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1235.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1290.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1338.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009082; 0.0000717] | Pa×s | [482.64; 774.53] |
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 | -1.37399e+01 | |||
| Coefficient B | 3.25098e+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. | 482.64 | |||
| Temperature range, max. | 774.53 | |||
| η | 0.0009082 | Pa×s | 482.64 | Calculated Property |
| η | 0.0005942 | Pa×s | 515.07 | Calculated Property |
| η | 0.0004089 | Pa×s | 547.51 | Calculated Property |
| η | 0.0002933 | Pa×s | 579.94 | Calculated Property |
| η | 0.0002180 | Pa×s | 612.37 | Calculated Property |
| η | 0.0001669 | Pa×s | 644.80 | Calculated Property |
| η | 0.0001311 | Pa×s | 677.24 | Calculated Property |
| η | 0.0001053 | Pa×s | 709.67 | Calculated Property |
| η | 0.0000862 | Pa×s | 742.10 | Calculated Property |
| η | 0.0000717 | Pa×s | 774.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosane-6,8-dione.
Sources
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