- InChI
- InChI=1S/C15H24O/c1-11-6-5-8-15-9-7-12(10-14(11,15)4)13(2,3)16-15/h5,8,11-12H,6-7,9-10H2,1-4H3/t11-,12?,14+,15+/m0/s1
- InChI Key
- JHJVISLPRJLTJT-HAOUFUCWSA-N
- Formula
- C15H24O
- SMILES
- CC1CC=CC23CCC(CC12C)C(C)(C)O3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 133.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [1528.00; 1528.00] |
|
|
| Inp | 1528.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Tboil | 593.12 | K | Joback Calculated Property |
| Tc | 832.40 | K | Joback Calculated Property |
| Tfus | 392.62 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.37; 663.14] | J/mol×K | [593.12; 832.40] |
|
| Cp,gas | 538.37 | J/mol×K | 593.12 | Joback Calculated Property |
| Cp,gas | 561.44 | J/mol×K | 633.00 | Joback Calculated Property |
| Cp,gas | 582.99 | J/mol×K | 672.88 | Joback Calculated Property |
| Cp,gas | 603.47 | J/mol×K | 712.76 | Joback Calculated Property |
| Cp,gas | 623.35 | J/mol×K | 752.64 | Joback Calculated Property |
| Cp,gas | 643.09 | J/mol×K | 792.52 | Joback Calculated Property |
| Cp,gas | 663.14 | J/mol×K | 832.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10,11-Epoxy-eremophil-1-ene.
Sources
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