- InChI
- InChI=1S/C21H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3/b6-5-,9-8-,12-11-
- InChI Key
- SQOVKJOWVZUDDC-AGRJPVHOSA-N
- Formula
- C21H36O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OC(C)
C - Molecular Weight1
- 320.51
- CAS
- 83918-59-6
- Other Names
-
- isopropyllinolenate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 130.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.98 | kJ/mol | Joback Calculated Property |
| log10WS | -7.15 | Crippen Calculated Property | |
| logPoct/wat | 6.527 | Crippen Calculated Property | |
| McVol | 301.290 | ml/mol | McGowan Calculated Property |
| Pc | 1093.54 | kPa | Joback Calculated Property |
| Inp | [2200.30; 2200.30] |
|
|
| Inp | 2200.30 | NIST | |
| Inp | 2200.30 | NIST | |
| Tboil | 768.21 | K | Joback Calculated Property |
| Tc | 952.78 | K | Joback Calculated Property |
| Tfus | 368.35 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.21; 997.76] | J/mol×K | [768.21; 952.78] |
|
| Cp,gas | 898.21 | J/mol×K | 768.21 | Joback Calculated Property |
| Cp,gas | 916.91 | J/mol×K | 798.97 | Joback Calculated Property |
| Cp,gas | 934.69 | J/mol×K | 829.73 | Joback Calculated Property |
| Cp,gas | 951.62 | J/mol×K | 860.50 | Joback Calculated Property |
| Cp,gas | 967.73 | J/mol×K | 891.26 | Joback Calculated Property |
| Cp,gas | 983.10 | J/mol×K | 922.02 | Joback Calculated Property |
| Cp,gas | 997.76 | J/mol×K | 952.78 | Joback Calculated Property |
| η | [0.0000385; 0.0015646] | Pa×s | [368.35; 768.21] |
|
| η | 0.0015646 | Pa×s | 368.35 | Joback Calculated Property |
| η | 0.0005256 | Pa×s | 434.99 | Joback Calculated Property |
| η | 0.0002359 | Pa×s | 501.64 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 568.28 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 634.92 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 701.57 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 768.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate.
Sources
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