- InChI
- InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13?,15+/m0/s1
- InChI Key
- JGKMDLIITSKWAD-QPEZOEKYSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2OC(C)(C)C3CCC(C)C23CC1
- 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.
- 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° | 129.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.78 | 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 | 2149.31 | kPa | Joback Calculated Property |
| Inp | [1498.00; 1529.00] |
|
|
| Inp | 1529.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1529.00 | NIST | |
| I | [1856.00; 1868.00] |
|
|
| I | 1868.00 | NIST | |
| I | 1856.00 | NIST | |
| I | 1868.00 | NIST | |
| Tboil | 597.86 | K | Joback Calculated Property |
| Tc | 828.69 | K | Joback Calculated Property |
| Tfus | 381.24 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.74; 662.37] | J/mol×K | [597.86; 828.69] |
|
| Cp,gas | 540.74 | J/mol×K | 597.86 | Joback Calculated Property |
| Cp,gas | 563.58 | J/mol×K | 636.33 | Joback Calculated Property |
| Cp,gas | 584.99 | J/mol×K | 674.80 | Joback Calculated Property |
| Cp,gas | 605.27 | J/mol×K | 713.28 | Joback Calculated Property |
| Cp,gas | 624.73 | J/mol×K | 751.75 | Joback Calculated Property |
| Cp,gas | 643.66 | J/mol×K | 790.22 | Joback Calculated Property |
| Cp,gas | 662.37 | J/mol×K | 828.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-epi-Italicene ether.
Sources
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