- InChI
- InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24(2)25/h3-23H2,1-2H3
- InChI Key
- AWYRDXDPCQRJHE-UHFFFAOYSA-N
- Formula
- C24H48O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 368.65
- Other Names
-
- Docosyl acetate
- n-Docosyl acetate
- Acetic acid, docosyl ester
- Behenyl acetate
- Docosanol acetate
- Docosanyl acetate
- 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 | 1.1058 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.371 | Crippen Calculated Property | |
| McVol | 356.460 | ml/mol | McGowan Calculated Property |
| Pc | 808.45 | kPa | Joback Calculated Property |
| Inp | [2594.00; 2617.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.30 | NIST | |
| Inp | 2609.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Inp | 2617.00 | NIST | |
| Inp | Outlier 2594.00 | NIST | |
| Inp | 2604.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 620.39 | K | Relay (1.0) Calculated Property |
| Tc | 804.16 | K | Relay (1.0) Calculated Property |
| Tfus | 318.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.413 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.95; 1265.62] | 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 | 6.48100e+00 | |||
| Coefficient B | 2.22904e+00 | |||
| Coefficient C | -1.18720e-03 | |||
| Coefficient D | 2.17300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 530.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 656.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 768.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 869.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 959.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1038.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1108.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1168.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1221.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1265.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014701; 0.0000680] | Pa×s | [402.57; 691.62] |
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 | -1.38752e+01 | |||
| Coefficient B | 2.96000e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 402.57 | |||
| Temperature range, max. | 691.62 | |||
| η | 0.0014701 | Pa×s | 402.57 | Calculated Property |
| η | 0.0008539 | Pa×s | 434.69 | Calculated Property |
| η | 0.0005345 | Pa×s | 466.80 | Calculated Property |
| η | 0.0003554 | Pa×s | 498.92 | Calculated Property |
| η | 0.0002482 | Pa×s | 531.04 | Calculated Property |
| η | 0.0001806 | Pa×s | 563.15 | Calculated Property |
| η | 0.0001360 | Pa×s | 595.27 | Calculated Property |
| η | 0.0001055 | Pa×s | 627.39 | Calculated Property |
| η | 0.0000838 | Pa×s | 659.50 | Calculated Property |
| η | 0.0000680 | Pa×s | 691.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosanol, acetate.
Sources
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