- InChI
- InChI=1S/C26H50O4/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-30-26(28)23-20-17-14-13-16-19-22-25(27)29-4-2/h3-24H2,1-2H3
- InChI Key
- LXKMEXZKZVUEFL-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OCC - Molecular Weight1
- 426.68
- 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 | 1.2481 | Relay (1.0) Calculated Property | |
| ΔfG° | -452.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1192.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.915 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 728.88 | kPa | Joback Calculated Property |
| Inp | [3038.00; 3038.00] |
|
|
| Inp | 3038.00 | NIST | |
| Inp | 3038.00 | NIST | |
| Tboil | 649.26 | K | Relay (1.0) Calculated Property |
| Tc | 826.33 | K | Relay (1.0) Calculated Property |
| Tfus | 307.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.537 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.71; 1376.91] | 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 | 3.00720e+01 | |||
| Coefficient B | 2.36424e+00 | |||
| Coefficient C | -1.20140e-03 | |||
| Coefficient D | 1.84000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 589.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 724.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 845.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 954.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1051.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1137.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1211.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1276.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1331.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1376.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006589; 0.0000310] | Pa×s | [467.44; 783.85] |
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 | -1.48940e+01 | |||
| Coefficient B | 3.53804e+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. | 467.44 | |||
| Temperature range, max. | 783.85 | |||
| η | 0.0006589 | Pa×s | 467.44 | Calculated Property |
| η | 0.0003880 | Pa×s | 502.60 | Calculated Property |
| η | 0.0002449 | Pa×s | 537.75 | Calculated Property |
| η | 0.0001635 | Pa×s | 572.91 | Calculated Property |
| η | 0.0001144 | Pa×s | 608.07 | Calculated Property |
| η | 0.0000833 | Pa×s | 643.22 | Calculated Property |
| η | 0.0000626 | Pa×s | 678.38 | Calculated Property |
| η | 0.0000484 | Pa×s | 713.54 | Calculated Property |
| η | 0.0000384 | Pa×s | 748.69 | Calculated Property |
| η | 0.0000310 | Pa×s | 783.85 | Calculated Property |
Similar Compounds
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Sources
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