- InChI
- InChI=1S/C23H44O2/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/h10-11H,3-9,12-22H2,1-2H3/b11-10+
- InChI Key
- ZYNDJIBBPLNPOW-ZHACJKMWSA-N
- Formula
- C23H44O2
- SMILES
-
CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
C - Molecular Weight1
- 352.60
- Other Names
-
- Methyl 13-docosenoate
- 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 | 0.9839 | Relay (1.0) Calculated Property | |
| ΔfG° | -87.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.757 | Crippen Calculated Property | |
| McVol | 338.070 | ml/mol | McGowan Calculated Property |
| Pc | 881.04 | kPa | Joback Calculated Property |
| Inp | [2480.00; 2480.00] |
|
|
| Inp | 2480.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Tboil | 608.92 | K | Relay (1.0) Calculated Property |
| Tc | 805.04 | K | Relay (1.0) Calculated Property |
| Tfus | 300.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.288 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1059.00; 1167.08] | J/mol×K | [788.22; 966.92] |
|
| Cp,gas | 1059.00 | J/mol×K | 788.22 | Joback Calculated Property |
| Cp,gas | 1079.53 | J/mol×K | 818.00 | Joback Calculated Property |
| Cp,gas | 1098.99 | J/mol×K | 847.79 | Joback Calculated Property |
| Cp,gas | 1117.44 | J/mol×K | 877.57 | Joback Calculated Property |
| Cp,gas | 1134.91 | J/mol×K | 907.35 | Joback Calculated Property |
| Cp,gas | 1151.45 | J/mol×K | 937.13 | Joback Calculated Property |
| Cp,gas | 1167.08 | J/mol×K | 966.92 | Joback Calculated Property |
| η | [0.0000371; 0.0015838] | Pa×s | [386.22; 788.22] |
|
| η | 0.0015838 | Pa×s | 386.22 | Joback Calculated Property |
| η | 0.0005336 | Pa×s | 453.22 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 520.22 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 587.22 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 654.22 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 721.22 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 788.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-Docosenoic acid, methyl ester.
Sources
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