- InChI
- InChI=1S/C26H48O4/c1-3-5-7-8-9-10-11-14-17-20-24-30-26(28)22-19-16-13-12-15-18-21-25(27)29-23-6-4-2/h4H,2-3,5-24H2,1H3
- InChI Key
- TWAMPNVGXDKUBN-UHFFFAOYSA-N
- Formula
- C26H48O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCCCC - Molecular Weight1
- 424.66
- 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 | 1.2122 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1084.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.691 | Crippen Calculated Property | |
| McVol | 387.780 | ml/mol | McGowan Calculated Property |
| Pc | 745.70 | kPa | Joback Calculated Property |
| Inp | [2969.00; 2969.00] |
|
|
| Inp | 2969.00 | NIST | |
| Inp | 2969.00 | NIST | |
| Tboil | 675.93 | K | Relay (1.0) Calculated Property |
| Tc | 834.28 | K | Relay (1.0) Calculated Property |
| Tfus | 289.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.480 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.90; 1348.40] | 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 | 2.70810e+01 | |||
| Coefficient B | 2.34422e+00 | |||
| Coefficient C | -1.22430e-03 | |||
| Coefficient D | 2.01400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 579.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 712.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 831.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 937.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1032.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1115.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1188.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1250.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1303.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1348.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006728; 0.0000333] | Pa×s | [465.68; 780.09] |
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 | -1.47617e+01 | |||
| Coefficient B | 3.47288e+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. | 465.68 | |||
| Temperature range, max. | 780.09 | |||
| η | 0.0006728 | Pa×s | 465.68 | Calculated Property |
| η | 0.0003998 | Pa×s | 500.61 | Calculated Property |
| η | 0.0002543 | Pa×s | 535.55 | Calculated Property |
| η | 0.0001710 | Pa×s | 570.48 | Calculated Property |
| η | 0.0001203 | Pa×s | 605.42 | Calculated Property |
| η | 0.0000880 | Pa×s | 640.35 | Calculated Property |
| η | 0.0000665 | Pa×s | 675.29 | Calculated Property |
| η | 0.0000516 | Pa×s | 710.22 | Calculated Property |
| η | 0.0000410 | Pa×s | 745.16 | Calculated Property |
| η | 0.0000333 | Pa×s | 780.09 | Calculated Property |
Similar Compounds
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Sources
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