- InChI
- InChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3
- InChI Key
- IIGMITQLXAGZTL-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC
C - Molecular Weight1
- 396.69
- CAS
- 109-36-4
- Other Names
-
- Octyl octadecanoate
- Octyl stearate
- Stearic acid, octyl ester
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -65.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.63 | kJ/mol | Joback Calculated Property |
| log10WS | -9.57 | Crippen Calculated Property | |
| logPoct/wat | 9.152 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 743.26 | kPa | Joback Calculated Property |
| Tboil | 870.57 | K | Joback Calculated Property |
| Tc | 1067.44 | K | Joback Calculated Property |
| Tfus | 454.94 | K | Joback Calculated Property |
| Vc | 1.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.37; 1403.78] | J/mol×K | [870.57; 1067.44] | 
|
| Cp,gas | 1285.37 | J/mol×K | 870.57 | Joback Calculated Property |
| Cp,gas | 1308.31 | J/mol×K | 903.38 | Joback Calculated Property |
| Cp,gas | 1329.90 | J/mol×K | 936.19 | Joback Calculated Property |
| Cp,gas | 1350.19 | J/mol×K | 969.01 | Joback Calculated Property |
| Cp,gas | 1369.24 | J/mol×K | 1001.82 | Joback Calculated Property |
| Cp,gas | 1387.08 | J/mol×K | 1034.63 | Joback Calculated Property |
| Cp,gas | 1403.78 | J/mol×K | 1067.44 | Joback Calculated Property |
| η | [0.0000311; 0.0008279] | Pa×s | [454.94; 870.57] |
|
| η | 0.0008279 | Pa×s | 454.94 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 524.21 | Joback Calculated Property |
| η | 0.0001664 | Pa×s | 593.48 | Joback Calculated Property |
| η | 0.0000959 | Pa×s | 662.75 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 732.03 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 801.30 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 870.57 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [621.20; 707.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.19719e+01 | |||
| Coefficient B | -1.44651e+04 | |||
| Coefficient C | -1.64662e+02 | |||
| Temperature range, min. | 621.20 | |||
| Temperature range, max. | 707.23 | |||
| Pvap | 1.33 | kPa | 621.20 | Calculated Property |
| Pvap | 2.55 | kPa | 630.76 | Calculated Property |
| Pvap | 4.76 | kPa | 640.32 | Calculated Property |
| Pvap | 8.67 | kPa | 649.88 | Calculated Property |
| Pvap | 15.43 | kPa | 659.44 | Calculated Property |
| Pvap | 26.85 | kPa | 668.99 | Calculated Property |
| Pvap | 45.78 | kPa | 678.55 | Calculated Property |
| Pvap | 76.54 | kPa | 688.11 | Calculated Property |
| Pvap | 125.63 | kPa | 697.67 | Calculated Property |
| Pvap | 202.65 | kPa | 707.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, octyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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