- InChI
- InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h22H,2-9,12-21H2,1H3
- InChI Key
- ONANHJGDQJCYMD-UHFFFAOYSA-N
- Formula
- C22H40O2
- SMILES
- CCCCCCCCCC#CCCCCCCOC1CCCCO1
- Molecular Weight1
- 336.56
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 56.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.624 | Crippen Calculated Property | |
| McVol | 313.120 | ml/mol | McGowan Calculated Property |
| Tboil | 627.61 | K | Relay (1.0) Calculated Property |
| Tfus | 281.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [990.70; 1103.92] | J/mol×K | [780.88; 973.47] | 
|
| Cp,gas | 990.70 | J/mol×K | 780.88 | Joback Calculated Property |
| Cp,gas | 1012.59 | J/mol×K | 812.98 | Joback Calculated Property |
| Cp,gas | 1033.22 | J/mol×K | 845.08 | Joback Calculated Property |
| Cp,gas | 1052.64 | J/mol×K | 877.17 | Joback Calculated Property |
| Cp,gas | 1070.87 | J/mol×K | 909.27 | Joback Calculated Property |
| Cp,gas | 1087.95 | J/mol×K | 941.37 | Joback Calculated Property |
| Cp,gas | 1103.92 | J/mol×K | 973.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran, 2-(7-heptadecynyloxy)tetrahydro-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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