- InChI
- InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2/b2-1-
- InChI Key
- GODWWTDBDJRXIU-UPHRSURJSA-N
- Formula
- C18H32O2
- SMILES
- O=C1CCCCCCC/C=C\CCCCCCCCO1
- Molecular Weight1
- 280.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -597.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.561 | Crippen Calculated Property | |
| McVol | 256.760 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [2158.90; 2208.00] |
|
|
| Inp | 2158.90 | NIST | |
| Inp | 2208.00 | NIST | |
| Inp | 2158.90 | NIST | |
| Inp | 2208.00 | NIST | |
| Tboil | 705.97 | K | Relay (1.0) Calculated Property |
| Tc | 885.62 | K | Relay (1.0) Calculated Property |
| Tfus | 324.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.00; 922.76] | 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 | -1.08160e+02 | |||
| Coefficient B | 1.64600e+00 | |||
| Coefficient C | -4.74080e-04 | |||
| Coefficient D | -1.41000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 303.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 408.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 506.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 594.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 674.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 745.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 805.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 855.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 894.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 922.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0261322; 0.0000031] | Pa×s | [308.61; 695.33] |
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 | -1.99056e+01 | |||
| Coefficient B | 5.01831e+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. | 308.61 | |||
| Temperature range, max. | 695.33 | |||
| η | 0.0261322 | Pa×s | 308.61 | Calculated Property |
| η | 0.0035816 | Pa×s | 351.58 | Calculated Property |
| η | 0.0007568 | Pa×s | 394.55 | Calculated Property |
| η | 0.0002170 | Pa×s | 437.52 | Calculated Property |
| η | 0.0000778 | Pa×s | 480.48 | Calculated Property |
| η | 0.0000330 | Pa×s | 523.45 | Calculated Property |
| η | 0.0000160 | Pa×s | 566.42 | Calculated Property |
| η | 0.0000085 | Pa×s | 609.39 | Calculated Property |
| η | 0.0000050 | Pa×s | 652.36 | Calculated Property |
| η | 0.0000031 | Pa×s | 695.33 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-18-Octadec-9-enolide.
Sources
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