- InChI
- InChI=1S/C15H24O/c1-9-6-8-12-13-11(9)7-5-10(2)14(13)16-15(12,3)4/h10-14H,1,5-8H2,2-4H3
- InChI Key
- QIBQOCDVTFISGY-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=C1CCC2C3C1CCC(C)C3OC2(C)C
- Molecular Weight1
- 220.35
- 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.
- 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 | 0.3604 | Relay (1.0) Calculated Property | |
| ΔfG° | 159.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1575.00] |
|
|
| Inp | 1575.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1575.00 | NIST | |
| I | [1941.00; 1948.00] |
|
|
| I | 1948.00 | NIST | |
| I | 1941.00 | NIST | |
| Tboil | 550.61 | K | Relay (1.0) Calculated Property |
| Tc | 781.38 | K | Relay (1.0) Calculated Property |
| Tfus | 337.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.98; 665.53] | J/mol×K | [587.97; 808.71] |
|
| Cp,gas | 541.98 | J/mol×K | 587.97 | Joback Calculated Property |
| Cp,gas | 565.68 | J/mol×K | 624.76 | Joback Calculated Property |
| Cp,gas | 587.92 | J/mol×K | 661.55 | Joback Calculated Property |
| Cp,gas | 608.86 | J/mol×K | 698.34 | Joback Calculated Property |
| Cp,gas | 628.66 | J/mol×K | 735.13 | Joback Calculated Property |
| Cp,gas | 647.50 | J/mol×K | 771.92 | Joback Calculated Property |
| Cp,gas | 665.53 | J/mol×K | 808.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,11-Epoxycadin-1(10)-ene.
Sources
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