- InChI
- InChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h14,18-19H,4-13,15-16H2,1-3H3
- InChI Key
- XMPLISOJJFNIMC-UHFFFAOYSA-N
- Formula
- C19H36O
- SMILES
- CCCCCCCCCCC1OC1CCCC=C(C)C
- Molecular Weight1
- 280.50
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 51.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.421 | Crippen Calculated Property | |
| McVol | 269.280 | ml/mol | McGowan Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 594.11 | K | Relay (1.0) Calculated Property |
| Tc | 773.49 | K | Relay (1.0) Calculated Property |
| Tfus | 288.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [390.88; 974.62] | 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 | -5.52380e+01 | |||
| Coefficient B | 1.95016e+00 | |||
| Coefficient C | -1.24680e-03 | |||
| Coefficient D | 3.26500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 390.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 493.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 583.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 663.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 733.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 794.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 848.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 895.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 937.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 974.62 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-7,8-Epoxy-2-methyl-2-octadecene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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