- InChI
- InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1
- InChI Key
- COGPRPSWSKLKTF-QPSCCSFWSA-N
- Formula
- C15H26O
- SMILES
- CC1=CC2C(C(C)C)CCC(C)C2(O)CC1
- Molecular Weight1
- 222.37
- Other Names
-
- epi- «alpha»-Cubenol
- 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° | 8.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1606.00; 1626.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1623.00 | NIST | |
| I | [2122.00; 2122.00] |
|
|
| I | 2122.00 | NIST | |
| I | 2122.00 | NIST | |
| Tboil | 659.94 | K | Joback Calculated Property |
| Tc | 865.11 | K | Joback Calculated Property |
| Tfus | 355.13 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.80; 704.93] | J/mol×K | [659.94; 865.11] |
|
| Cp,gas | 597.80 | J/mol×K | 659.94 | Joback Calculated Property |
| Cp,gas | 617.79 | J/mol×K | 694.13 | Joback Calculated Property |
| Cp,gas | 636.77 | J/mol×K | 728.33 | Joback Calculated Property |
| Cp,gas | 654.86 | J/mol×K | 762.52 | Joback Calculated Property |
| Cp,gas | 672.18 | J/mol×K | 796.72 | Joback Calculated Property |
| Cp,gas | 688.83 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 704.93 | J/mol×K | 865.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-epi-Cubenol.
Sources
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