- InChI
- InChI=1S/C17H28O/c1-12-6-7-13-14(18-12)8-9-15-16(2,3)10-5-11-17(13,15)4/h6,13-15H,5,7-11H2,1-4H3/t13?,14?,15?,17-/m0/s1
- InChI Key
- WZENFBKOQYBKCE-FKFDDHQTSA-N
- Formula
- C17H28O
- SMILES
-
CC1=CCC2C(CCC3C(C)(C)CCCC23C)O
1 - Molecular Weight1
- 248.40
- 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 | 0.3648 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.922 | Crippen Calculated Property | |
| McVol | 219.380 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | [1826.00; 1903.00] |
|
|
| Inp | 1826.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Inp | 1903.00 | NIST | |
| I | [2287.00; 2287.00] |
|
|
| I | 2287.00 | NIST | |
| I | 2287.00 | NIST | |
| Tboil | 580.54 | K | Relay (1.0) Calculated Property |
| Tc | 817.01 | K | Relay (1.0) Calculated Property |
| Tfus | 327.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.766 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.09; 793.95] | J/mol×K | [652.16; 889.23] |
|
| Cp,gas | 655.09 | J/mol×K | 652.16 | Joback Calculated Property |
| Cp,gas | 680.52 | J/mol×K | 691.67 | Joback Calculated Property |
| Cp,gas | 704.61 | J/mol×K | 731.18 | Joback Calculated Property |
| Cp,gas | 727.69 | J/mol×K | 770.69 | Joback Calculated Property |
| Cp,gas | 750.06 | J/mol×K | 810.20 | Joback Calculated Property |
| Cp,gas | 772.04 | J/mol×K | 849.72 | Joback Calculated Property |
| Cp,gas | 793.95 | J/mol×K | 889.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8,13-Epoxy-15,16-dinorlabd-12-ene.
Sources
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