- InChI
- InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6?,10-9-
- InChI Key
- HVGRZDASOHMCSK-HZJYTTRNSA-N
- Formula
- C22H40O2
- SMILES
-
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=
O)O - Molecular Weight1
- 336.56
- 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 | 1.0832 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.445 | Crippen Calculated Property | |
| McVol | 319.680 | ml/mol | McGowan Calculated Property |
| Pc | 1060.33 | kPa | Joback Calculated Property |
| Inp | 2566.20 | NIST | |
| Tboil | 624.54 | K | Relay (1.0) Calculated Property |
| Tc | 836.41 | K | Relay (1.0) Calculated Property |
| Tfus | 303.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1025.76; 1123.52] | J/mol×K | [857.13; 1049.37] | 
|
| Cp,gas | 1025.76 | J/mol×K | 857.13 | Joback Calculated Property |
| Cp,gas | 1044.03 | J/mol×K | 889.17 | Joback Calculated Property |
| Cp,gas | 1061.42 | J/mol×K | 921.21 | Joback Calculated Property |
| Cp,gas | 1077.99 | J/mol×K | 953.25 | Joback Calculated Property |
| Cp,gas | 1093.82 | J/mol×K | 985.29 | Joback Calculated Property |
| Cp,gas | 1108.97 | J/mol×K | 1017.33 | Joback Calculated Property |
| Cp,gas | 1123.52 | J/mol×K | 1049.37 | Joback Calculated Property |
| η | [0.0000088; 0.0010596] | Pa×s | [438.29; 857.13] |
|
| η | 0.0010596 | Pa×s | 438.29 | Joback Calculated Property |
| η | 0.0002752 | Pa×s | 508.10 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 577.90 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 647.71 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 717.52 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 787.32 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 857.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-13,16-Docasadienoic acid.
Sources
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