- InChI
- InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m1/s1
- InChI Key
- PBNXUEQZNAEDOI-DMJDIKPUSA-N
- Formula
- C15H24O
- SMILES
- CC(C)=CCC1OC1(C)C1CC=C(C)CC1
- Molecular Weight1
- 220.35
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 153.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.247 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| I | [1814.00; 1814.00] |
|
|
| I | 1814.00 | NIST | |
| I | 1814.00 | NIST | |
| Tboil | 599.59 | K | Joback Calculated Property |
| Tc | 819.43 | K | Joback Calculated Property |
| Tfus | 324.60 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.36; 647.92] | J/mol×K | [599.59; 819.43] |
|
| Cp,gas | 535.36 | J/mol×K | 599.59 | Joback Calculated Property |
| Cp,gas | 556.81 | J/mol×K | 636.23 | Joback Calculated Property |
| Cp,gas | 576.95 | J/mol×K | 672.87 | Joback Calculated Property |
| Cp,gas | 595.97 | J/mol×K | 709.51 | Joback Calculated Property |
| Cp,gas | 614.03 | J/mol×K | 746.15 | Joback Calculated Property |
| Cp,gas | 631.29 | J/mol×K | 782.79 | Joback Calculated Property |
| Cp,gas | 647.92 | J/mol×K | 819.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-(Z)-«alpha»-Bisabolene epoxide.
Sources
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