- InChI
- InChI=1S/C26H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-4-2/h4H,2-3,5-25H2,1H3
- InChI Key
- CLRFJBXIZDMMBQ-UHFFFAOYSA-N
- Formula
- C26H50O2
- SMILES
-
C=CCOC(=O)CCCCCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 394.67
- 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 | 1.1420 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.928 | Crippen Calculated Property | |
| McVol | 380.340 | ml/mol | McGowan Calculated Property |
| Pc | 743.67 | kPa | Joback Calculated Property |
| Inp | 2744.00 | NIST | |
| Tboil | 654.18 | K | Relay (1.0) Calculated Property |
| Tc | 826.92 | K | Relay (1.0) Calculated Property |
| Tfus | 303.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.464 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.57; 1340.29] | 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 | 1.67200e+00 | |||
| Coefficient B | 2.39902e+00 | |||
| Coefficient C | -1.31890e-03 | |||
| Coefficient D | 2.58500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 563.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 696.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 816.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 923.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1017.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1101.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1174.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1238.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1293.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1340.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011304; 0.0000536] | Pa×s | [423.35; 728.26] |
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 | -1.40679e+01 | |||
| Coefficient B | 3.08316e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 423.35 | |||
| Temperature range, max. | 728.26 | |||
| η | 0.0011304 | Pa×s | 423.35 | Calculated Property |
| η | 0.0006590 | Pa×s | 457.23 | Calculated Property |
| η | 0.0004139 | Pa×s | 491.11 | Calculated Property |
| η | 0.0002760 | Pa×s | 524.99 | Calculated Property |
| η | 0.0001933 | Pa×s | 558.87 | Calculated Property |
| η | 0.0001410 | Pa×s | 592.75 | Calculated Property |
| η | 0.0001065 | Pa×s | 626.62 | Calculated Property |
| η | 0.0000827 | Pa×s | 660.50 | Calculated Property |
| η | 0.0000659 | Pa×s | 694.38 | Calculated Property |
| η | 0.0000536 | Pa×s | 728.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl tricosanoate.
Sources
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