- InChI
- InChI=1S/C23H38O2/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/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3/b8-7+,11-10+,14-13+,17-16+
- InChI Key
- ABGHYAFHPINIHF-SHDWVJIKSA-N
- Formula
- C23H38O2
- SMILES
-
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CC
CCCC(=O)OC - Molecular Weight1
- 346.55
- 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).
- 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 | 0.7170 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.085 | Crippen Calculated Property | |
| McVol | 325.170 | ml/mol | McGowan Calculated Property |
| Pc | 968.68 | kPa | Joback Calculated Property |
| Tboil | 608.59 | K | Relay (1.0) Calculated Property |
| Tc | 797.65 | K | Relay (1.0) Calculated Property |
| Tfus | 279.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [985.05; 1085.77] | J/mol×K | [800.70; 987.30] | 
|
| Cp,gas | 985.05 | J/mol×K | 800.70 | Joback Calculated Property |
| Cp,gas | 1003.93 | J/mol×K | 831.80 | Joback Calculated Property |
| Cp,gas | 1021.88 | J/mol×K | 862.90 | Joback Calculated Property |
| Cp,gas | 1038.97 | J/mol×K | 894.00 | Joback Calculated Property |
| Cp,gas | 1055.27 | J/mol×K | 925.10 | Joback Calculated Property |
| Cp,gas | 1070.84 | J/mol×K | 956.20 | Joback Calculated Property |
| Cp,gas | 1085.77 | J/mol×K | 987.30 | Joback Calculated Property |
| η | [0.0000244; 0.0013427] | Pa×s | [370.98; 800.70] |
|
| η | 0.0013427 | Pa×s | 370.98 | Joback Calculated Property |
| η | 0.0004009 | Pa×s | 442.60 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 514.22 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 585.84 | Joback Calculated Property |
| η | 0.0000518 | Pa×s | 657.46 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 729.08 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 800.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,10,13,16-Docosatetraenoic acid, methyl ester.
Sources
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