- InChI
- InChI=1S/C15H24O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6,13H,1,7-10H2,2-5H3/b12-11+
- InChI Key
- JEMPCTQTARBZOI-VAWYXSNFSA-N
- Formula
- C15H24O2
- SMILES
-
C=CC1(C)CCC(C(C)=C2CCC(C)(C)O2
)O1 - Molecular Weight1
- 236.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4061 | Relay (... Calculated Property | |
| ΔfG° | 82.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 3.973 | Crippen Calculated Property | |
| McVol | 203.630 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [1494.00; 1494.00] |
|
|
| Inp | 1494.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Tboil | 542.66 | K | Relay (... Calculated Property |
| Tc | 748.31 | K | Relay (... Calculated Property |
| Tfus | 266.23 | K | Relay (... Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.45; 685.61] | J/mol×K | [626.07; 858.37] |
|
| Cp,gas | 568.45 | J/mol×K | 626.07 | Joback Calculated Property |
| Cp,gas | 589.98 | J/mol×K | 664.79 | Joback Calculated Property |
| Cp,gas | 610.33 | J/mol×K | 703.50 | Joback Calculated Property |
| Cp,gas | 629.78 | J/mol×K | 742.22 | Joback Calculated Property |
| Cp,gas | 648.62 | J/mol×K | 780.94 | Joback Calculated Property |
| Cp,gas | 667.13 | J/mol×K | 819.66 | Joback Calculated Property |
| Cp,gas | 685.61 | J/mol×K | 858.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Davana ether (Isomer).
Sources
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