- InChI
- InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
- InChI Key
- OIZXRZCQJDXPFO-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 312.54
- CAS
- 822-23-1
- Other Names
-
- 1-Octadecanol acetate
- 1-Octadecyl acetate
- Octadecanol acetate
- Octadecyl acetate
- Stearyl acetate
- n-Octadecyl acetate
- n-Octadecyl ethanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.9656 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.50 | kJ/mol | NIST |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | kPa | Joback Calculated Property |
| Inp | [2161.00; 2211.00] |
|
|
| Inp | Outlier 2161.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2178.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2207.30 | NIST | |
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2197.00 | NIST | |
| Inp | 2197.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | Outlier 2161.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Ip | [2516.00; 2521.00] |
|
|
| Ip | 2516.00 | NIST | |
| Ip | 2516.00 | NIST | |
| Ip | 2521.00 | NIST | |
| Ip | 2521.00 | NIST | |
| Tboil | 594.24 | K | Relay (1.0) Calculated Property |
| Tc | 774.84 | K | Relay (1.0) Calculated Property |
| Tfus | [305.80; 307.65] | K |
|
| Tfus | 307.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 305.80 ± 0.60 | K | NIST |
| Vc | 1.189 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 94.30 | kJ/mol | 420.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 452.50 ± 0.50 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.09; 1059.26] | 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 | 1.01170e+01 | |||
| Coefficient B | 1.84904e+00 | |||
| Coefficient C | -9.69600e-04 | |||
| Coefficient D | 1.69700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 446.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 550.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 728.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 803.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 870.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 928.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 978.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1022.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1059.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080517; 0.0001153] | Pa×s | [306.73; 618.57] |
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 | -1.32443e+01 | |||
| Coefficient B | 2.58336e+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. | 306.73 | |||
| Temperature range, max. | 618.57 | |||
| η | 0.0080517 | Pa×s | 306.73 | Calculated Property |
| η | 0.0034247 | Pa×s | 341.37 | Calculated Property |
| η | 0.0017052 | Pa×s | 376.02 | Calculated Property |
| η | 0.0009551 | Pa×s | 410.67 | Calculated Property |
| η | 0.0005854 | Pa×s | 445.32 | Calculated Property |
| η | 0.0003851 | Pa×s | 479.97 | Calculated Property |
| η | 0.0002680 | Pa×s | 514.62 | Calculated Property |
| η | 0.0001953 | Pa×s | 549.27 | Calculated Property |
| η | 0.0001477 | Pa×s | 583.92 | Calculated Property |
| η | 0.0001153 | Pa×s | 618.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [542.52; 642.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.57805e+01 | |||
| Coefficient B | -1.03474e+04 | |||
| Coefficient C | -1.36626e+02 | |||
| Temperature range, min. | 542.52 | |||
| Temperature range, max. | 642.14 | |||
| Pvap | 1.33 | kPa | 542.52 | Calculated Property |
| Pvap | 2.62 | kPa | 553.59 | Calculated Property |
| Pvap | 4.98 | kPa | 564.66 | Calculated Property |
| Pvap | 9.17 | kPa | 575.73 | Calculated Property |
| Pvap | 16.36 | kPa | 586.80 | Calculated Property |
| Pvap | 28.40 | kPa | 597.86 | Calculated Property |
| Pvap | 48.05 | kPa | 608.93 | Calculated Property |
| Pvap | 79.36 | kPa | 620.00 | Calculated Property |
| Pvap | 128.14 | kPa | 631.07 | Calculated Property |
| Pvap | 202.63 | kPa | 642.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, octadecyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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