- InChI
- InChI=1S/C15H22O2/c1-10-5-4-6-11-7-12-15(8-13(10,11)2)14(3,17-15)9-16-12/h7,10,12H,4-6,8-9H2,1-3H3/t10-,12?,13+,14?,15?/m0/s1
- InChI Key
- LHTGLYLMFOPXAB-ZENOWJCDSA-N
- Formula
- C15H22O2
- SMILES
- CC1CCCC2=CC3OCC4(C)OC34CC21C
- Molecular Weight1
- 234.33
- 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.
- 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° | 118.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.069 | Crippen Calculated Property | |
| McVol | 186.210 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Inp | 1753.00 | NIST | |
| I | 2452.00 | NIST | |
| Tboil | 632.19 | K | Joback Calculated Property |
| Tc | 878.01 | K | Joback Calculated Property |
| Tfus | 457.41 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.18; 674.87] | J/mol×K | [632.19; 878.01] | 
|
| Cp,gas | 555.18 | J/mol×K | 632.19 | Joback Calculated Property |
| Cp,gas | 576.02 | J/mol×K | 673.16 | Joback Calculated Property |
| Cp,gas | 595.77 | J/mol×K | 714.13 | Joback Calculated Property |
| Cp,gas | 614.98 | J/mol×K | 755.10 | Joback Calculated Property |
| Cp,gas | 634.20 | J/mol×K | 796.07 | Joback Calculated Property |
| Cp,gas | 653.98 | J/mol×K | 837.04 | Joback Calculated Property |
| Cp,gas | 674.87 | J/mol×K | 878.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,11:8,12-Di-epoxy-eremophil-9-ene, epimer A.
Sources
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