- InChI
- InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
- InChI Key
- QMVPMAAFGQKVCJ-SNVBAGLBSA-N
- Formula
- C10H20O
- SMILES
- CC(C)=CCCC(C)CCO
- Molecular Weight1
- 156.27
- CAS
- 7540-51-4
- Other Names
-
- 6-Octen-1-ol, 3,7-dimethyl-, (S)-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.751 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Tboil | 498.70 | K | NIST |
| Tfus | 217.67 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.96; 523.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.64660e+01 | |||
| Coefficient B | 1.01366e+00 | |||
| Coefficient C | -6.39900e-04 | |||
| Coefficient D | 1.66300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 215.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 269.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 358.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 428.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 456.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 503.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 523.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (-)-3,7-dimethyloct-6-en-1-ol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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