- InChI
- InChI=1S/C17H26O3/c1-11(18)20-13-9-14(2)8-12(17(13)10-19-17)15(3)6-5-7-16(14,15)4/h12-13H,5-10H2,1-4H3/t12?,13-,14+,15+,16-,17+/m0/s1
- InChI Key
- RPIPUNFNXUXZEF-FAZLRTIUSA-N
- Formula
- C17H26O3
- SMILES
-
CC(=O)OC1CC2(C)CC(C13CO3)C1(C)
CCCC21C - Molecular Weight1
- 278.39
- Other Names
-
- (-)3«beta»,15«beta»-Epoxy-4«beta»-acetoxygymnomitrane
- 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 | 0.4948 | Relay (... Calculated Property | |
| ΔfG° | -34.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -3.37 | Relay (... Calculated Property | |
| logPoct/wat | 3.313 | Crippen Calculated Property | |
| McVol | 220.260 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1875.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| Tboil | 570.91 | K | Relay (... Calculated Property |
| Tc | 847.14 | K | Relay (... Calculated Property |
| Tfus | 395.82 | K | Relay (... Calculated Property |
| Vc | 0.836 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [701.38; 848.88] | J/mol×K | [714.45; 953.81] |
|
| Cp,gas | 701.38 | J/mol×K | 714.45 | Joback Calculated Property |
| Cp,gas | 723.44 | J/mol×K | 754.34 | Joback Calculated Property |
| Cp,gas | 745.69 | J/mol×K | 794.24 | Joback Calculated Property |
| Cp,gas | 768.74 | J/mol×K | 834.13 | Joback Calculated Property |
| Cp,gas | 793.21 | J/mol×K | 874.02 | Joback Calculated Property |
| Cp,gas | 819.72 | J/mol×K | 913.91 | Joback Calculated Property |
| Cp,gas | 848.88 | J/mol×K | 953.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,15-«beta»-Epoxy-4«beta»-acetoxygymnomitrane.
Sources
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