- InChI
- InChI=1S/C14H24O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-13,15H,4-7H2,1-3H3/t9-,10+,11?,12?,13?,14?/m1/s1
- InChI Key
- XOZMJZPPIYMDMP-CQYVWIKOSA-N
- Formula
- C14H24O
- SMILES
- CC(C)C1CCC(C)C23CCC(O)C2C13
- Molecular Weight1
- 208.34
- 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° | 69.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 181.410 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [1508.00; 1508.00] |
|
|
| Inp | 1508.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Tboil | 622.18 | K | Joback Calculated Property |
| Tc | 821.87 | K | Joback Calculated Property |
| Tfus | 354.84 | K | Joback Calculated Property |
| Vc | 0.691 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.72; 648.80] | J/mol×K | [622.18; 821.87] |
|
| Cp,gas | 545.72 | J/mol×K | 622.18 | Joback Calculated Property |
| Cp,gas | 565.09 | J/mol×K | 655.46 | Joback Calculated Property |
| Cp,gas | 583.39 | J/mol×K | 688.74 | Joback Calculated Property |
| Cp,gas | 600.77 | J/mol×K | 722.03 | Joback Calculated Property |
| Cp,gas | 617.37 | J/mol×K | 755.31 | Joback Calculated Property |
| Cp,gas | 633.33 | J/mol×K | 788.59 | Joback Calculated Property |
| Cp,gas | 648.80 | J/mol×K | 821.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cubebol I.
Sources
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