- InChI
- InChI=1S/C36H66O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20H,3-11,13,15-16,21-35H2,1-2H3/b14-12-,19-17+,20-18-
- InChI Key
- HCWKYEAMGMQHRV-MBTQIMBLSA-N
- Formula
- C36H66O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCCCCC
CCCC=CCCCCCCCC - Molecular Weight1
- 530.91
- 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° | 258.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 92.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.76 | kJ/mol | Joback Calculated Property |
| log10WS | -13.32 | Crippen Calculated Property | |
| logPoct/wat | 12.381 | Crippen Calculated Property | |
| McVol | 512.640 | ml/mol | McGowan Calculated Property |
| Pc | 500.03 | kPa | Joback Calculated Property |
| Inp | [3690.81; 3690.81] |
|
|
| Inp | 3690.81 | NIST | |
| Inp | 3690.81 | NIST | |
| Tboil | 1111.85 | K | Joback Calculated Property |
| Tc | 1422.92 | K | Joback Calculated Property |
| Tfus | 552.40 | K | Joback Calculated Property |
| Vc | 2.015 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1871.70; 2052.24] | J/mol×K | [1111.85; 1422.92] |
|
| Cp,gas | 1871.70 | J/mol×K | 1111.85 | Joback Calculated Property |
| Cp,gas | 1904.80 | J/mol×K | 1163.69 | Joback Calculated Property |
| Cp,gas | 1936.13 | J/mol×K | 1215.54 | Joback Calculated Property |
| Cp,gas | 1966.13 | J/mol×K | 1267.38 | Joback Calculated Property |
| Cp,gas | 1995.21 | J/mol×K | 1319.23 | Joback Calculated Property |
| Cp,gas | 2023.77 | J/mol×K | 1371.07 | Joback Calculated Property |
| Cp,gas | 2052.24 | J/mol×K | 1422.92 | Joback Calculated Property |
| η | [0.0000044; 0.0001682] | Pa×s | [552.40; 1111.85] |
|
| η | 0.0001682 | Pa×s | 552.40 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 645.64 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 738.88 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 832.12 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 925.37 | Joback Calculated Property |
| η | 0.0000061 | Pa×s | 1018.61 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 1111.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12-dienoic acid octadec-9-enyl ester, Z,Z,Z.
Sources
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