- 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° | -49.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.29 | 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 | 1016.18 | kPa | Joback Calculated Property |
| Inp | [2566.20; 2566.20] |
|
|
| Inp | 2566.20 | NIST | |
| Inp | 2566.20 | NIST | |
| Tboil | 624.54 | K | Relay (1.0) Calculated Property |
| Tc | 841.91 | K | Relay (1.0) Calculated Property |
| Tfus | 300.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.163 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.80; 1103.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.08740e+01 | |||
| Coefficient B | 2.18462e+00 | |||
| Coefficient C | -1.41320e-03 | |||
| Coefficient D | 3.73400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 457.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 571.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 672.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 760.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 838.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 906.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 965.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1017.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1063.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1103.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005673; 0.0000669] | Pa×s | [488.14; 735.39] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.38322e+01 | |||
| Coefficient B | 3.10338e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 488.14 | |||
| Temperature range, max. | 735.39 | |||
| η | 0.0005673 | Pa×s | 488.14 | Calculated Property |
| η | 0.0004043 | Pa×s | 515.61 | Calculated Property |
| η | 0.0002982 | Pa×s | 543.08 | Calculated Property |
| η | 0.0002264 | Pa×s | 570.56 | Calculated Property |
| η | 0.0001764 | Pa×s | 598.03 | Calculated Property |
| η | 0.0001404 | Pa×s | 625.50 | Calculated Property |
| η | 0.0001140 | Pa×s | 652.97 | Calculated Property |
| η | 0.0000941 | Pa×s | 680.44 | Calculated Property |
| η | 0.0000788 | Pa×s | 707.92 | Calculated Property |
| η | 0.0000669 | Pa×s | 735.39 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-13,16-Docasadienoic acid.
Sources
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