- InChI
- InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)28-26(3)27/h25H,4-24H2,1-3H3
- InChI Key
- OHFMWTJACJWDRC-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCC(C)OC(C
)=O - Molecular Weight1
- 396.70
- 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).
- 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 | 1.1379 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -927.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.150 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 730.07 | kPa | Joback Calculated Property |
| Tboil | 619.94 | K | Relay (1.0) Calculated Property |
| Tc | 810.98 | K | Relay (1.0) Calculated Property |
| Tfus | 315.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.509 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.06; 1369.34] | 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 | 2.98100e+00 | |||
| Coefficient B | 2.42496e+00 | |||
| Coefficient C | -1.29920e-03 | |||
| Coefficient D | 2.40600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 573.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 708.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 831.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 940.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1037.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1123.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1199.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1264.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1321.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1369.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014091; 0.0000466] | Pa×s | [410.11; 730.79] |
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 | -1.43338e+01 | |||
| Coefficient B | 3.18614e+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. | 410.11 | |||
| Temperature range, max. | 730.79 | |||
| η | 0.0014091 | Pa×s | 410.11 | Calculated Property |
| η | 0.0007572 | Pa×s | 445.74 | Calculated Property |
| η | 0.0004461 | Pa×s | 481.37 | Calculated Property |
| η | 0.0002827 | Pa×s | 517.00 | Calculated Property |
| η | 0.0001900 | Pa×s | 552.63 | Calculated Property |
| η | 0.0001340 | Pa×s | 588.26 | Calculated Property |
| η | 0.0000984 | Pa×s | 623.89 | Calculated Property |
| η | 0.0000746 | Pa×s | 659.52 | Calculated Property |
| η | 0.0000583 | Pa×s | 695.16 | Calculated Property |
| η | 0.0000466 | Pa×s | 730.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Tetracosanol, acetate.
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