- InChI
- InChI=1S/C15H24O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m0/s1
- InChI Key
- KNLJFYVIVVSUNJ-ZNMIVQPWSA-N
- Formula
- C15H24O
- SMILES
- C=CC1(C)CCC(C(=C)CO)CC1C(=C)C
- 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.
- 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° | 188.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.720 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1673.00] |
|
|
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 635.03 | K | Joback Calculated Property |
| Tc | 832.55 | K | Joback Calculated Property |
| Tfus | 309.23 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.36; 660.66] | J/mol×K | [635.03; 832.55] |
|
| Cp,gas | 562.36 | J/mol×K | 635.03 | Joback Calculated Property |
| Cp,gas | 580.72 | J/mol×K | 667.95 | Joback Calculated Property |
| Cp,gas | 598.15 | J/mol×K | 700.87 | Joback Calculated Property |
| Cp,gas | 614.76 | J/mol×K | 733.79 | Joback Calculated Property |
| Cp,gas | 630.64 | J/mol×K | 766.71 | Joback Calculated Property |
| Cp,gas | 645.91 | J/mol×K | 799.63 | Joback Calculated Property |
| Cp,gas | 660.66 | J/mol×K | 832.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Elema-1,3,11(13)-trien-12-ol.
Sources
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