- InChI
- InChI=1S/C15H22O2/c1-10-5-4-6-13(2)7-8-15-12(11(10)13)16-9-14(15,3)17-15/h12H,4-9H2,1-3H3/t12?,13-,14?,15?/m1/s1
- InChI Key
- JFQRIENZNZRVMS-MXTXEEQBSA-N
- Formula
- C15H22O2
- SMILES
- CC1=C2C3OCC4(C)OC34CCC2(C)CCC1
- Molecular Weight1
- 234.33
- Other Names
-
- 6,12;7,11-Diepoxy-eudesm-4-ene (epimer A)
- 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° | 116.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.213 | Crippen Calculated Property | |
| McVol | 186.210 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | [1740.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| I | [2384.00; 2384.00] |
|
|
| I | 2384.00 | NIST | |
| I | 2384.00 | NIST | |
| Tboil | 641.84 | K | Joback Calculated Property |
| Tc | 888.44 | K | Joback Calculated Property |
| Tfus | 474.17 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.07; 670.97] | J/mol×K | [641.84; 888.44] |
|
| Cp,gas | 553.07 | J/mol×K | 641.84 | Joback Calculated Property |
| Cp,gas | 573.12 | J/mol×K | 682.94 | Joback Calculated Property |
| Cp,gas | 592.26 | J/mol×K | 724.04 | Joback Calculated Property |
| Cp,gas | 611.07 | J/mol×K | 765.14 | Joback Calculated Property |
| Cp,gas | 630.08 | J/mol×K | 806.24 | Joback Calculated Property |
| Cp,gas | 649.87 | J/mol×K | 847.34 | Joback Calculated Property |
| Cp,gas | 670.97 | J/mol×K | 888.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,12:7,11-Di-epoxy-eudesm-4-ene, epimer A.
Sources
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