- InChI
- InChI=1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11,13-14H,3-9,12,15-22H2,1-2H3/b11-10+,14-13+
- InChI Key
- QXCRCRVQJUAXGL-IWCZYTNJSA-N
- Formula
- C23H42O2
- SMILES
- CCCCCCCCC=CCC=CCCCCCCCCC(=O)OC
- Molecular Weight1
- 350.58
- 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 | 0.9054 | Relay (1.0) Calculated Property | |
| ΔfG° | -7.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.533 | Crippen Calculated Property | |
| McVol | 333.770 | ml/mol | McGowan Calculated Property |
| Pc | 908.89 | kPa | Joback Calculated Property |
| Inp | [2449.00; 2449.00] |
|
|
| Inp | 2449.00 | NIST | |
| Inp | 2449.00 | NIST | |
| Tboil | 613.79 | K | Relay (1.0) Calculated Property |
| Tc | 803.73 | K | Relay (1.0) Calculated Property |
| Tfus | 289.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.233 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.73; 1152.87] | 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 | -2.09740e+01 | |||
| Coefficient B | 2.17404e+00 | |||
| Coefficient C | -1.30040e-03 | |||
| Coefficient D | 3.00200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 481.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 598.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 702.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 795.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 876.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 947.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1010.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1064.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1111.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1152.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014975; 0.0000576] | Pa×s | [381.14; 681.34] |
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 | -1.38984e+01 | |||
| Coefficient B | 2.81832e+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. | 381.14 | |||
| Temperature range, max. | 681.34 | |||
| η | 0.0014975 | Pa×s | 381.14 | Calculated Property |
| η | 0.0008259 | Pa×s | 414.50 | Calculated Property |
| η | 0.0004978 | Pa×s | 447.85 | Calculated Property |
| η | 0.0003218 | Pa×s | 481.21 | Calculated Property |
| η | 0.0002201 | Pa×s | 514.56 | Calculated Property |
| η | 0.0001577 | Pa×s | 547.92 | Calculated Property |
| η | 0.0001174 | Pa×s | 581.27 | Calculated Property |
| η | 0.0000902 | Pa×s | 614.63 | Calculated Property |
| η | 0.0000713 | Pa×s | 647.98 | Calculated Property |
| η | 0.0000576 | Pa×s | 681.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 10,13-Docosadienoic acid, methyl ester.
Sources
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