- InChI
- InChI=1S/C14H24O2/c1-6-10-7-13(15)12(14(4,5)16)8-11(10)9(2)3/h6,10-13,15-16H,1-2,7-8H2,3-5H3/t10-,11+,12?,13-/m0/s1
- InChI Key
- QKVCTWTVHSDDGI-HNGCFSAESA-N
- Formula
- C14H24O2
- SMILES
- C=CC1CC(O)C(C(C)(C)O)CC1C(=C)C
- Molecular Weight1
- 224.34
- CAS
- 64373-81-5
- 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° | -35.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.523 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [1734.00; 1748.00] |
|
|
| Inp | 1734.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1734.00 | NIST | |
| Tboil | 699.63 | K | Joback Calculated Property |
| Tc | 887.69 | K | Joback Calculated Property |
| Tfus | 348.78 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.92; 691.53] | J/mol×K | [699.63; 887.69] |
|
| Cp,gas | 607.92 | J/mol×K | 699.63 | Joback Calculated Property |
| Cp,gas | 624.07 | J/mol×K | 730.97 | Joback Calculated Property |
| Cp,gas | 639.28 | J/mol×K | 762.32 | Joback Calculated Property |
| Cp,gas | 653.59 | J/mol×K | 793.66 | Joback Calculated Property |
| Cp,gas | 667.04 | J/mol×K | 825.01 | Joback Calculated Property |
| Cp,gas | 679.68 | J/mol×K | 856.35 | Joback Calculated Property |
| Cp,gas | 691.53 | J/mol×K | 887.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-«alpha»-11-Elemodiol.
Sources
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