- InChI
- InChI=1S/C15H22O2/c1-11-6-5-8-15(4)13(17-15)10-14(2,3)9-7-12(11)16/h6-7,9,13H,5,8,10H2,1-4H3/b9-7+,11-6-
- InChI Key
- UXYYOHOTPOQJPD-MHLOZHTBSA-N
- Formula
- C15H22O2
- SMILES
- CC1=CCCC2(C)OC2CC(C)(C)C=CC1=O
- Molecular Weight1
- 234.33
- 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 | 0.3882 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.426 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 569.51 | K | Relay (1.0) Calculated Property |
| Tc | 794.48 | K | Relay (1.0) Calculated Property |
| Tfus | 331.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.32; 702.18] | J/mol×K | [675.58; 928.30] |
|
| Cp,gas | 576.32 | J/mol×K | 675.58 | Joback Calculated Property |
| Cp,gas | 598.92 | J/mol×K | 717.70 | Joback Calculated Property |
| Cp,gas | 620.51 | J/mol×K | 759.82 | Joback Calculated Property |
| Cp,gas | 641.35 | J/mol×K | 801.94 | Joback Calculated Property |
| Cp,gas | 661.72 | J/mol×K | 844.06 | Joback Calculated Property |
| Cp,gas | 681.91 | J/mol×K | 886.18 | Joback Calculated Property |
| Cp,gas | 702.18 | J/mol×K | 928.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Zerumbone epoxide.
Sources
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