- 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-ZKWNWVNESA-N
- Formula
- C23H38O2
- SMILES
-
CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)
OC - Molecular Weight1
- 346.55
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 229.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.78 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 7.085 | Crippen Calculated Property | |
| McVol | 325.170 | ml/mol | McGowan Calculated Property |
| Pc | 993.88 | kPa | Joback Calculated Property |
| Inp | [2481.10; 2481.10] |
|
|
| Inp | 2481.10 | NIST | |
| Inp | 2481.10 | NIST | |
| Tboil | 818.57 | K | Joback Calculated Property |
| Tc | 1008.12 | K | Joback Calculated Property |
| Tfus | 400.81 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [993.49; 1094.97] | J/mol×K | [818.57; 1008.12] |
|
| Cp,gas | 993.49 | J/mol×K | 818.57 | Joback Calculated Property |
| Cp,gas | 1012.37 | J/mol×K | 850.16 | Joback Calculated Property |
| Cp,gas | 1030.36 | J/mol×K | 881.75 | Joback Calculated Property |
| Cp,gas | 1047.54 | J/mol×K | 913.35 | Joback Calculated Property |
| Cp,gas | 1063.99 | J/mol×K | 944.94 | Joback Calculated Property |
| Cp,gas | 1079.77 | J/mol×K | 976.53 | Joback Calculated Property |
| Cp,gas | 1094.97 | J/mol×K | 1008.12 | Joback Calculated Property |
| η | [0.0000277; 0.0009188] | Pa×s | [400.81; 818.57] |
|
| η | 0.0009188 | Pa×s | 400.81 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 470.44 | Joback Calculated Property |
| η | 0.0001567 | Pa×s | 540.06 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 609.69 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 679.32 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 748.94 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 818.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-7,10,13,16-Docosatetraenoic acid, methyl ester.
Sources
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