- InChI
- InChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h17-18H,3-16,19-21H2,1-2H3/b18-17-
- InChI Key
- AEFLJPWAIVIDGO-ZCXUNETKSA-N
- Formula
- C22H42O2
- SMILES
- CCCCCCCCCCCCCCCC=CCCCC(=O)OC
- Molecular Weight1
- 338.57
- 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 | 0.9528 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.367 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 933.49 | kPa | Joback Calculated Property |
| Inp | [2281.00; 2281.00] |
|
|
| Inp | 2281.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Tboil | 606.49 | K | Relay (1.0) Calculated Property |
| Tc | 797.28 | K | Relay (1.0) Calculated Property |
| Tfus | 295.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.52; 1131.86] | 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 | -5.88300e+00 | |||
| Coefficient B | 2.05904e+00 | |||
| Coefficient C | -1.16220e-03 | |||
| Coefficient D | 2.40900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 474.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 587.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 689.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 779.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 859.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 930.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 991.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1045.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1091.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1131.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018009; 0.0000766] | Pa×s | [374.95; 658.71] |
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 | -1.36483e+01 | |||
| Coefficient B | 2.74792e+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. | 374.95 | |||
| Temperature range, max. | 658.71 | |||
| η | 0.0018009 | Pa×s | 374.95 | Calculated Property |
| η | 0.0010200 | Pa×s | 406.48 | Calculated Property |
| η | 0.0006270 | Pa×s | 438.01 | Calculated Property |
| η | 0.0004114 | Pa×s | 469.54 | Calculated Property |
| η | 0.0002847 | Pa×s | 501.07 | Calculated Property |
| η | 0.0002058 | Pa×s | 532.59 | Calculated Property |
| η | 0.0001542 | Pa×s | 564.12 | Calculated Property |
| η | 0.0001192 | Pa×s | 595.65 | Calculated Property |
| η | 0.0000945 | Pa×s | 627.18 | Calculated Property |
| η | 0.0000766 | Pa×s | 658.71 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-5-Eicosenoic acid, methyl ester.
Sources
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