- InChI
- InChI=1S/C28H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- InChI Key
- DBADHDAADPVAEV-UHFFFAOYSA-N
- Formula
- C28H56O
- SMILES
-
CCCCCCCCCCCCCCC(=O)CCCCCCCCCCC
CC - Molecular Weight1
- 408.75
- 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 | 1.1886 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.348 | Crippen Calculated Property | |
| McVol | 406.950 | ml/mol | McGowan Calculated Property |
| Pc | 677.11 | kPa | Joback Calculated Property |
| Inp | [2988.90; 2988.90] |
|
|
| Inp | 2988.90 | NIST | |
| Inp | 2988.90 | NIST | |
| Tboil | 639.48 | K | Relay (1.0) Calculated Property |
| Tc | 835.97 | K | Relay (1.0) Calculated Property |
| Tfus | 342.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.599 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.39; 1452.89] | 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 | -1.52050e+01 | |||
| Coefficient B | 2.63584e+00 | |||
| Coefficient C | -1.48070e-03 | |||
| Coefficient D | 3.12960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 600.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 745.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 876.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 992.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1096.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1187.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1267.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1338.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1399.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1452.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009703; 0.0000554] | Pa×s | [455.25; 769.22] |
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 | -1.39519e+01 | |||
| Coefficient B | 3.19311e+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. | 455.25 | |||
| Temperature range, max. | 769.22 | |||
| η | 0.0009703 | Pa×s | 455.25 | Calculated Property |
| η | 0.0005890 | Pa×s | 490.14 | Calculated Property |
| η | 0.0003820 | Pa×s | 525.02 | Calculated Property |
| η | 0.0002615 | Pa×s | 559.91 | Calculated Property |
| η | 0.0001872 | Pa×s | 594.79 | Calculated Property |
| η | 0.0001390 | Pa×s | 629.68 | Calculated Property |
| η | 0.0001065 | Pa×s | 664.57 | Calculated Property |
| η | 0.0000838 | Pa×s | 699.45 | Calculated Property |
| η | 0.0000675 | Pa×s | 734.34 | Calculated Property |
| η | 0.0000554 | Pa×s | 769.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Octacosan-14-one.
Sources
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