- InChI
- InChI=1S/C23H36O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
- InChI Key
- PTFHIRHGARALFY-JEBPEJKESA-N
- Formula
- C23H36O2
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O
)OC - Molecular Weight1
- 344.53
- Other Names
-
- 7,10,13,16,19-docosapentaenoic acid, methyl ester
- 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° | 309.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.74 | kJ/mol | Joback Calculated Property |
| log10WS | -7.58 | Crippen Calculated Property | |
| logPoct/wat | 6.861 | Crippen Calculated Property | |
| McVol | 320.870 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 822.73 | K | Joback Calculated Property |
| Tc | 1015.51 | K | Joback Calculated Property |
| Tfus | 395.73 | K | Joback Calculated Property |
| Vc | 1.248 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.98; 1067.79] | J/mol×K | [822.73; 1015.51] |
|
| Cp,gas | 967.98 | J/mol×K | 822.73 | Joback Calculated Property |
| Cp,gas | 986.39 | J/mol×K | 854.86 | Joback Calculated Property |
| Cp,gas | 1003.97 | J/mol×K | 886.99 | Joback Calculated Property |
| Cp,gas | 1020.82 | J/mol×K | 919.12 | Joback Calculated Property |
| Cp,gas | 1037.01 | J/mol×K | 951.25 | Joback Calculated Property |
| Cp,gas | 1052.64 | J/mol×K | 983.38 | Joback Calculated Property |
| Cp,gas | 1067.79 | J/mol×K | 1015.51 | Joback Calculated Property |
| η | [0.0000242; 0.0008620] | Pa×s | [395.73; 822.73] |
|
| η | 0.0008620 | Pa×s | 395.73 | Joback Calculated Property |
| η | 0.0003017 | Pa×s | 466.90 | Joback Calculated Property |
| η | 0.0001394 | Pa×s | 538.06 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 609.23 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 680.40 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 751.56 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 822.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 7,10,13,16,19-docosapentaenoate.
Sources
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