- InChI
- InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4H,2-3,5-20H2,1H3
- InChI Key
- HPCIWDZYMSZAEZ-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCCCCC
- Molecular Weight1
- 324.54
- CAS
- 6289-31-2
- Other Names
-
- Stearic acid, allyl ester
- Allyl stearate
- 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 | 0.9666 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.977 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 1010.37 | kPa | Joback Calculated Property |
| Inp | 2251.00 | NIST | |
| Tboil | 620.69 | K | Relay (1.0) Calculated Property |
| Tc | 788.92 | K | Relay (1.0) Calculated Property |
| Tfus | 290.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.33; 1047.16] | J/mol×K | [752.85; 926.96] | 
|
| Cp,gas | 943.33 | J/mol×K | 752.85 | Joback Calculated Property |
| Cp,gas | 962.90 | J/mol×K | 781.87 | Joback Calculated Property |
| Cp,gas | 981.53 | J/mol×K | 810.89 | Joback Calculated Property |
| Cp,gas | 999.24 | J/mol×K | 839.91 | Joback Calculated Property |
| Cp,gas | 1016.06 | J/mol×K | 868.93 | Joback Calculated Property |
| Cp,gas | 1032.03 | J/mol×K | 897.94 | Joback Calculated Property |
| Cp,gas | 1047.16 | J/mol×K | 926.96 | Joback Calculated Property |
| η | [0.0000679; 0.0014892] | Pa×s | [396.83; 752.85] |
|
| η | 0.0014892 | Pa×s | 396.83 | Joback Calculated Property |
| η | 0.0006370 | Pa×s | 456.17 | Joback Calculated Property |
| η | 0.0003313 | Pa×s | 515.50 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 574.84 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 634.18 | Joback Calculated Property |
| η | 0.0000912 | Pa×s | 693.51 | Joback Calculated Property |
| η | 0.0000679 | Pa×s | 752.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 2-propenyl ester.
Sources
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