- InChI
- InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
- InChI Key
- DTOSIQBPPRVQHS-IUQGRGSQSA-N
- Formula
- C18H30O2
- SMILES
- CCC=CCC=CCC=CCCCCCCCC(=O)O
- Molecular Weight1
- 278.43
- CAS
- 1955-33-5
- Other Names
-
- Octadeca-9,12,15-trienoic acid
- 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.
- 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° | 75.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.02 | Crippen Calculated Property | |
| logPoct/wat | 5.661 | Crippen Calculated Property | |
| McVol | 259.020 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2125.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2125.00 | NIST | |
| Inp | 2117.00 | NIST | |
| I | 3554.00 | NIST | |
| Tboil | 769.77 | K | Joback Calculated Property |
| Tc | 951.83 | K | Joback Calculated Property |
| Tfus | 388.13 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.47; 845.11] | J/mol×K | [769.77; 951.83] |
|
| Cp,gas | 762.47 | J/mol×K | 769.77 | Joback Calculated Property |
| Cp,gas | 777.83 | J/mol×K | 800.11 | Joback Calculated Property |
| Cp,gas | 792.49 | J/mol×K | 830.46 | Joback Calculated Property |
| Cp,gas | 806.48 | J/mol×K | 860.80 | Joback Calculated Property |
| Cp,gas | 819.88 | J/mol×K | 891.14 | Joback Calculated Property |
| Cp,gas | 832.74 | J/mol×K | 921.49 | Joback Calculated Property |
| Cp,gas | 845.11 | J/mol×K | 951.83 | Joback Calculated Property |
| η | [0.0000155; 0.0022584] | Pa×s | [388.13; 769.77] |
|
| η | 0.0022584 | Pa×s | 388.13 | Joback Calculated Property |
| η | 0.0005488 | Pa×s | 451.74 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 515.34 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 578.95 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 642.56 | Joback Calculated Property |
| η | 0.0000245 | Pa×s | 706.16 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 769.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,12,15-Octadecatrienoic acid.
Sources
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