- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.95; 897.58] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.72380e+01 | |||
| Coefficient B | 1.80462e+00 | |||
| Coefficient C | -1.19560e-03 | |||
| Coefficient D | 3.25800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 372.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 465.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 619.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 682.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 737.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 785.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 827.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 864.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 897.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008551; 0.0001091] | Pa×s | [443.06; 665.86] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32186e+01 | |||
| Coefficient B | 2.72674e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 443.06 | |||
| Temperature range, max. | 665.86 | |||
| η | 0.0008551 | Pa×s | 443.06 | Calculated Property |
| η | 0.0006174 | Pa×s | 467.82 | Calculated Property |
| η | 0.0004607 | Pa×s | 492.57 | Calculated Property |
| η | 0.0003535 | Pa×s | 517.33 | Calculated Property |
| η | 0.0002778 | Pa×s | 542.08 | Calculated Property |
| η | 0.0002230 | Pa×s | 566.84 | Calculated Property |
| η | 0.0001824 | Pa×s | 591.59 | Calculated Property |
| η | 0.0001516 | Pa×s | 616.35 | Calculated Property |
| η | 0.0001278 | Pa×s | 641.10 | Calculated Property |
| η | 0.0001091 | Pa×s | 665.86 | Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,11E)-Octadecadienoic acid.
Sources
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