- InChI
- InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+
- InChI Key
- SINQXHSEFNZZNO-SPOHZTNBSA-N
- Formula
- C18H30O2
- SMILES
- CCCCCC=CCC=CCC=CCCCC(=O)OC
- Molecular Weight1
- 278.43
- CAS
- 22117-08-4
- Other Names
-
- methyl 5,8,11-heptadecatrienoate
- 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° | 107.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.359 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| I | [2525.00; 2525.00] |
|
|
| I | 2525.00 | NIST | |
| I | 2525.00 | NIST | |
| Tboil | 700.01 | K | Joback Calculated Property |
| Tc | 881.96 | K | Joback Calculated Property |
| Tfus | 349.54 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.42; 816.06] | J/mol×K | [700.01; 881.96] |
|
| Cp,gas | 723.42 | J/mol×K | 700.01 | Joback Calculated Property |
| Cp,gas | 740.82 | J/mol×K | 730.33 | Joback Calculated Property |
| Cp,gas | 757.37 | J/mol×K | 760.66 | Joback Calculated Property |
| Cp,gas | 773.13 | J/mol×K | 790.98 | Joback Calculated Property |
| Cp,gas | 788.13 | J/mol×K | 821.31 | Joback Calculated Property |
| Cp,gas | 802.42 | J/mol×K | 851.63 | Joback Calculated Property |
| Cp,gas | 816.06 | J/mol×K | 881.96 | Joback Calculated Property |
| η | [0.0000612; 0.0016564] | Pa×s | [349.54; 700.01] |
|
| η | 0.0016564 | Pa×s | 349.54 | Joback Calculated Property |
| η | 0.0006450 | Pa×s | 407.95 | Joback Calculated Property |
| η | 0.0003181 | Pa×s | 466.36 | Joback Calculated Property |
| η | 0.0001836 | Pa×s | 524.77 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 583.19 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 641.60 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 700.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,11-Heptadecatrienoic acid, methyl ester.
Sources
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