- InChI
- InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-5,8-9H,2,6H2,1,3H3
- InChI Key
- MDTLRZIDFDKYHS-SNAWJCMRSA-N
- Formula
- C8H14O
- SMILES
- C=C(C)CC(O)/C=C/C
- Molecular Weight1
- 126.20
- 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° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Tboil | 433.61 | K | Relay (1.0) Calculated Property |
| Tfus | 238.77 | 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 | [163.72; 391.90] | 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 | -1.76390e+01 | |||
| Coefficient B | 8.03640e-01 | |||
| Coefficient C | -5.54000e-04 | |||
| Coefficient D | 1.59900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 342.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 360.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 377.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 391.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,5-heptadien-4-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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