- InChI
- InChI=1S/C15H22O2/c1-6-14(5)7-8-15(17-14)12(4)10-13(16-15)9-11(2)3/h6,9,13H,1,4,7-8,10H2,2-3,5H3
- InChI Key
- WKVFNUBTMXSGNM-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
C=CC1(C)CCC2(OC(C=C(C)C)CC2=C)
O1 - Molecular Weight1
- 234.33
- Other Names
-
- 3-epi-3,6,6,9-Bisepoxy-farnesa-1,7(14),10-triene
- 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.
- I : 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 | 0.3488 | Relay (... Calculated Property | |
| ΔfG° | 182.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.749 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [1458.00; 1460.00] |
|
|
| Inp | 1458.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1460.00 | NIST | |
| I | [1870.00; 1877.00] |
|
|
| I | 1870.00 | NIST | |
| I | 1877.00 | NIST | |
| I | 1877.00 | NIST | |
| Tboil | 527.42 | K | Relay (... Calculated Property |
| Tc | 734.00 | K | Relay (... Calculated Property |
| Tfus | 271.29 | K | Relay (... Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.43; 652.90] | J/mol×K | [618.48; 847.90] |
|
| Cp,gas | 544.43 | J/mol×K | 618.48 | Joback Calculated Property |
| Cp,gas | 564.39 | J/mol×K | 656.72 | Joback Calculated Property |
| Cp,gas | 583.21 | J/mol×K | 694.95 | Joback Calculated Property |
| Cp,gas | 601.19 | J/mol×K | 733.19 | Joback Calculated Property |
| Cp,gas | 618.60 | J/mol×K | 771.43 | Joback Calculated Property |
| Cp,gas | 635.74 | J/mol×K | 809.66 | Joback Calculated Property |
| Cp,gas | 652.90 | J/mol×K | 847.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-epi-3,6;6,9-Bisepoxyfarnesa-1,7(14),10-triene.
Sources
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