- InChI
- InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+
- InChI Key
- KBGYPXOSNDMZRV-IUQGRGSQSA-N
- Formula
- C16H26O2
- SMILES
- CCC=CCC=CCC=CCCCCCC(=O)O
- Molecular Weight1
- 250.38
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7933 | Relay (1.0) Calculated Property | |
| ΔfG° | 58.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.880 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [1989.00; 1989.00] |
|
|
| Inp | 1989.00 | NIST | |
| Inp | 1989.00 | NIST | |
| Tboil | 591.13 | K | Relay (1.0) Calculated Property |
| Tc | 779.37 | K | Relay (1.0) Calculated Property |
| Tfus | 312.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.07; 726.95] | J/mol×K | [724.01; 904.45] |
|
| Cp,gas | 650.07 | J/mol×K | 724.01 | Joback Calculated Property |
| Cp,gas | 664.43 | J/mol×K | 754.08 | Joback Calculated Property |
| Cp,gas | 678.10 | J/mol×K | 784.16 | Joback Calculated Property |
| Cp,gas | 691.13 | J/mol×K | 814.23 | Joback Calculated Property |
| Cp,gas | 703.59 | J/mol×K | 844.30 | Joback Calculated Property |
| Cp,gas | 715.51 | J/mol×K | 874.38 | Joback Calculated Property |
| Cp,gas | 726.95 | J/mol×K | 904.45 | Joback Calculated Property |
| η | [0.0000220; 0.0033563] | Pa×s | [365.59; 724.01] |
|
| η | 0.0033563 | Pa×s | 365.59 | Joback Calculated Property |
| η | 0.0008065 | Pa×s | 425.33 | Joback Calculated Property |
| η | 0.0002754 | Pa×s | 485.06 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 544.80 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 604.54 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 664.27 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 724.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,10,13-Hexadecatrienoic acid.
Sources
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