- InChI
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9-
- InChI Key
- JBYXPOFIGCOSSB-QRLRYFCNSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCC=CC=CCCCCCCCC(=O)O
- Molecular Weight1
- 280.45
- 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 | 0.9820 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.885 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1319.43 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 601.37 | K | Relay (1.0) Calculated Property |
| Tc | 806.97 | K | Relay (1.0) Calculated Property |
| Tfus | 347.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.61; 877.96] | J/mol×K | [765.27; 951.23] |
|
| Cp,gas | 789.61 | J/mol×K | 765.27 | Joback Calculated Property |
| Cp,gas | 806.15 | J/mol×K | 796.26 | Joback Calculated Property |
| Cp,gas | 821.88 | J/mol×K | 827.26 | Joback Calculated Property |
| Cp,gas | 836.87 | J/mol×K | 858.25 | Joback Calculated Property |
| Cp,gas | 851.18 | J/mol×K | 889.24 | Joback Calculated Property |
| Cp,gas | 864.85 | J/mol×K | 920.23 | Joback Calculated Property |
| Cp,gas | 877.96 | J/mol×K | 951.23 | Joback Calculated Property |
| η | [0.0000641; 0.0008551] | Pa×s | [443.06; 765.27] |
|
| η | 0.0008551 | Pa×s | 443.06 | Joback Calculated Property |
| η | 0.0004396 | Pa×s | 496.76 | Joback Calculated Property |
| η | 0.0002574 | Pa×s | 550.46 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 604.16 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 657.87 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 711.57 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 765.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,11E)-Octadecadienoic acid.
Sources
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