- InChI
- InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11-
- InChI Key
- PZQSQRCNMZGWFT-QXMHVHEDSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCC=CCCCCCCCC(=O)OC(C)C
- Molecular Weight1
- 324.54
- Other Names
-
- Octadecenoic acid, 1-methylethyl 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).
- 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° | -30.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 6.976 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | 2192.00 | NIST | |
| Tboil | 759.89 | K | Joback Calculated Property |
| Tc | 937.41 | K | Joback Calculated Property |
| Tfus | 378.51 | K | Joback Calculated Property |
| Vc | 1.210 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.13; 1050.57] | J/mol×K | [759.89; 937.41] | 
|
| Cp,gas | 946.13 | J/mol×K | 759.89 | Joback Calculated Property |
| Cp,gas | 965.83 | J/mol×K | 789.48 | Joback Calculated Property |
| Cp,gas | 984.57 | J/mol×K | 819.06 | Joback Calculated Property |
| Cp,gas | 1002.38 | J/mol×K | 848.65 | Joback Calculated Property |
| Cp,gas | 1019.29 | J/mol×K | 878.24 | Joback Calculated Property |
| Cp,gas | 1035.34 | J/mol×K | 907.82 | Joback Calculated Property |
| Cp,gas | 1050.57 | J/mol×K | 937.41 | Joback Calculated Property |
| η | [0.0000511; 0.0017622] | Pa×s | [378.51; 759.89] |
|
| η | 0.0017622 | Pa×s | 378.51 | Joback Calculated Property |
| η | 0.0006391 | Pa×s | 442.07 | Joback Calculated Property |
| η | 0.0002991 | Pa×s | 505.64 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 569.20 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 632.76 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 696.33 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 759.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to i-Propyl 9-octadecenoate.
Sources
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