- InChI
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-17,19H,2-4,7-15,18H2,1H3/b6-5+,17-16+
- InChI Key
- YCOMGIOWVNOOBC-JNHUCFJMSA-N
- Formula
- C18H34O
- SMILES
- CCCC/C=C/CCCCCCCCC/C=C/CO
- Molecular Weight1
- 266.47
- 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.
- 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 |
|---|---|---|---|
| ω | 0.8901 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.792 | Crippen Calculated Property | |
| McVol | 261.750 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| I | [2125.00; 2125.00] |
|
|
| I | 2125.00 | NIST | |
| I | 2125.00 | NIST | |
| Tboil | 597.89 | K | Relay (1.0) Calculated Property |
| Tc | 788.24 | K | Relay (1.0) Calculated Property |
| Tfus | 306.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.82; 905.47] | 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 | -3.65470e+01 | |||
| Coefficient B | 1.78782e+00 | |||
| Coefficient C | -1.15340e-03 | |||
| Coefficient D | 3.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 371.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 465.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 684.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 740.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 789.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 832.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 871.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 905.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053256; 0.0000459] | Pa×s | [343.28; 617.24] |
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 | -1.59477e+01 | |||
| Coefficient B | 3.67739e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 343.28 | |||
| Temperature range, max. | 617.24 | |||
| η | 0.0053256 | Pa×s | 343.28 | Calculated Property |
| η | 0.0022255 | Pa×s | 373.72 | Calculated Property |
| η | 0.0010606 | Pa×s | 404.16 | Calculated Property |
| η | 0.0005608 | Pa×s | 434.60 | Calculated Property |
| η | 0.0003223 | Pa×s | 465.04 | Calculated Property |
| η | 0.0001983 | Pa×s | 495.48 | Calculated Property |
| η | 0.0001290 | Pa×s | 525.92 | Calculated Property |
| η | 0.0000880 | Pa×s | 556.36 | Calculated Property |
| η | 0.0000625 | Pa×s | 586.80 | Calculated Property |
| η | 0.0000459 | Pa×s | 617.24 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-(E)-13-Octadecadien-1-ol.
Sources
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