- InChI
- InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,24H,3-5,7,9-11,13,15-17,19-23,25-39H2,1-2H3/b8-6-,14-12-,24-18-
- InChI Key
- FTWQNDJWUSTNNM-YABKDYGWSA-N
- Formula
- C40H74O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCCCC
CCCCCCCCCCCCCCCCCC - Molecular Weight1
- 587.01
- 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° | 292.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 102.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.66 | kJ/mol | Joback Calculated Property |
| log10WS | -14.99 | Crippen Calculated Property | |
| logPoct/wat | 13.941 | Crippen Calculated Property | |
| McVol | 569.000 | ml/mol | McGowan Calculated Property |
| Pc | 424.07 | kPa | Joback Calculated Property |
| Inp | [4129.59; 4129.59] |
|
|
| Inp | 4129.59 | NIST | |
| Inp | 4129.59 | NIST | |
| Tboil | 1203.37 | K | Joback Calculated Property |
| Tc | 1610.47 | K | Joback Calculated Property |
| Tfus | 597.48 | K | Joback Calculated Property |
| Vc | 2.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2150.40; 2403.69] | J/mol×K | [1203.37; 1610.47] |
|
| Cp,gas | 2150.40 | J/mol×K | 1203.37 | Joback Calculated Property |
| Cp,gas | 2193.88 | J/mol×K | 1271.22 | Joback Calculated Property |
| Cp,gas | 2235.50 | J/mol×K | 1339.07 | Joback Calculated Property |
| Cp,gas | 2276.27 | J/mol×K | 1406.92 | Joback Calculated Property |
| Cp,gas | 2317.22 | J/mol×K | 1474.77 | Joback Calculated Property |
| Cp,gas | 2359.35 | J/mol×K | 1542.62 | Joback Calculated Property |
| Cp,gas | 2403.69 | J/mol×K | 1610.47 | Joback Calculated Property |
| η | [0.0000023; 0.0000913] | Pa×s | [597.48; 1203.37] |
|
| η | 0.0000913 | Pa×s | 597.48 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 698.46 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 799.44 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 900.42 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 1001.41 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 1102.39 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 1203.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadeca-9,12,15-trienoic acid docosyl ester, Z,Z,Z.
Sources
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