- InChI
- InChI=1S/C15H22O2/c1-6-15(5)10-8-13(17-15)11(2)12-7-9-14(3,4)16-12/h6-7,9,13H,1,8,10H2,2-5H3/b12-11+
- InChI Key
- ZFMNPTVNDZBEHA-VAWYXSNFSA-N
- Formula
- C15H22O2
- SMILES
-
C=CC1(C)CCC(C(C)=C2C=CC(C)(C)O
2)O1 - Molecular Weight1
- 234.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 112.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.749 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | 1535.00 | NIST | |
| Tboil | 625.23 | K | Joback Calculated Property |
| Tc | 859.75 | K | Joback Calculated Property |
| Tfus | 372.71 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.73; 657.97] | J/mol×K | [625.23; 859.75] | 
|
| Cp,gas | 546.73 | J/mol×K | 625.23 | Joback Calculated Property |
| Cp,gas | 567.15 | J/mol×K | 664.32 | Joback Calculated Property |
| Cp,gas | 586.42 | J/mol×K | 703.40 | Joback Calculated Property |
| Cp,gas | 604.84 | J/mol×K | 742.49 | Joback Calculated Property |
| Cp,gas | 622.71 | J/mol×K | 781.57 | Joback Calculated Property |
| Cp,gas | 640.32 | J/mol×K | 820.66 | Joback Calculated Property |
| Cp,gas | 657.97 | J/mol×K | 859.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Davana ether, isomer # 3.
Sources
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