- InChI
- InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+
- InChI Key
- QTGAEXCCAPTGLB-ZYEZJADKSA-N
- Formula
- C15H24O
- SMILES
- CC1=CCC(C)(C)C=CCC2(C)OC2CC1
- Molecular Weight1
- 220.35
- Other Names
-
- Humulene epoxide 3
- 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 | 0.3180 | Relay (... Calculated Property | |
| ΔfG° | 69.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -4.30 | Relay (... Calculated Property | |
| logPoct/wat | 4.247 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| I | [2038.00; 2083.00] |
|
|
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2083.00 | NIST | |
| I | 2049.00 | NIST | |
| I | Outlier 2038.00 | NIST | |
| I | 2081.00 | NIST | |
| Tboil | 546.98 | K | Relay (... Calculated Property |
| Tc | 747.68 | K | Relay (... Calculated Property |
| Tfus | 279.85 | K | Relay (... Calculated Property |
| Vc | 0.693 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.18; 663.49] | J/mol×K | [607.76; 848.30] |
|
| Cp,gas | 538.18 | J/mol×K | 607.76 | Joback Calculated Property |
| Cp,gas | 561.67 | J/mol×K | 647.85 | Joback Calculated Property |
| Cp,gas | 583.74 | J/mol×K | 687.94 | Joback Calculated Property |
| Cp,gas | 604.67 | J/mol×K | 728.03 | Joback Calculated Property |
| Cp,gas | 624.76 | J/mol×K | 768.12 | Joback Calculated Property |
| Cp,gas | 644.27 | J/mol×K | 808.21 | Joback Calculated Property |
| Cp,gas | 663.49 | J/mol×K | 848.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Humulene epoxide III.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.