- InChI
- InChI=1S/C28H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-23-26-32-28(30)25-22-19-16-15-18-21-24-27(29)31-4-2/h3-26H2,1-2H3
- InChI Key
- YQDKJQIFKDONOY-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCC - Molecular Weight1
- 454.73
- 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 | 1.3184 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1232.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.695 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 658.81 | kPa | Joback Calculated Property |
| Inp | [3196.00; 3196.00] |
|
|
| Inp | 3196.00 | NIST | |
| Inp | 3196.00 | NIST | |
| Tboil | 662.05 | K | Relay (1.0) Calculated Property |
| Tc | 838.85 | K | Relay (1.0) Calculated Property |
| Tfus | 311.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.647 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.14; 1480.09] | 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 | 2.82540e+01 | |||
| Coefficient B | 2.55424e+00 | |||
| Coefficient C | -1.31020e-03 | |||
| Coefficient D | 2.07800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 632.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 777.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 907.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1025.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1129.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1221.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1301.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1371.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1430.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1480.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004890; 0.0000218] | Pa×s | [489.98; 829.13] |
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 | -1.52283e+01 | |||
| Coefficient B | 3.72636e+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. | 489.98 | |||
| Temperature range, max. | 829.13 | |||
| η | 0.0004890 | Pa×s | 489.98 | Calculated Property |
| η | 0.0002841 | Pa×s | 527.66 | Calculated Property |
| η | 0.0001774 | Pa×s | 565.35 | Calculated Property |
| η | 0.0001175 | Pa×s | 603.03 | Calculated Property |
| η | 0.0000817 | Pa×s | 640.71 | Calculated Property |
| η | 0.0000592 | Pa×s | 678.40 | Calculated Property |
| η | 0.0000443 | Pa×s | 716.08 | Calculated Property |
| η | 0.0000342 | Pa×s | 753.76 | Calculated Property |
| η | 0.0000270 | Pa×s | 791.45 | Calculated Property |
| η | 0.0000218 | Pa×s | 829.13 | Calculated Property |
Similar Compounds
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Sources
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