- InChI
- InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3/b5-4+,8-7+,11-10+
- InChI Key
- DUOCBVNCDAEWTB-JSIPCRQOSA-N
- Formula
- C17H28O2
- SMILES
- CCC=CCC=CCC=CCCCCCC(=O)OC
- Molecular Weight1
- 264.40
- CAS
- 56554-30-4
- Other Names
-
- Methyl 7,10,13-hexadecatrienoate
- 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).
- I : 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° | 99.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| I | [2325.00; 2380.00] |
|
|
| I | 2380.00 | NIST | |
| I | 2325.00 | NIST | |
| I | 2380.00 | NIST | |
| Tboil | 677.13 | K | Joback Calculated Property |
| Tc | 859.74 | K | Joback Calculated Property |
| Tfus | 338.27 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.53; 758.01] | J/mol×K | [677.13; 859.74] |
|
| Cp,gas | 667.53 | J/mol×K | 677.13 | Joback Calculated Property |
| Cp,gas | 684.55 | J/mol×K | 707.56 | Joback Calculated Property |
| Cp,gas | 700.73 | J/mol×K | 738.00 | Joback Calculated Property |
| Cp,gas | 716.12 | J/mol×K | 768.43 | Joback Calculated Property |
| Cp,gas | 730.77 | J/mol×K | 798.87 | Joback Calculated Property |
| Cp,gas | 744.71 | J/mol×K | 829.30 | Joback Calculated Property |
| Cp,gas | 758.01 | J/mol×K | 859.74 | Joback Calculated Property |
| η | [0.0000690; 0.0018095] | Pa×s | [338.27; 677.13] |
|
| η | 0.0018095 | Pa×s | 338.27 | Joback Calculated Property |
| η | 0.0007111 | Pa×s | 394.75 | Joback Calculated Property |
| η | 0.0003531 | Pa×s | 451.22 | Joback Calculated Property |
| η | 0.0002049 | Pa×s | 507.70 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 564.18 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 620.65 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 677.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,10,13-Hexadecatrienoic acid, methyl ester.
Sources
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