- InChI
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5H,1-2,4,6-8H2,3H3
- InChI Key
- VYBREYKSZAROCT-UHFFFAOYSA-N
- Formula
- C10H16
- SMILES
- C=CC(=C)CCCC(=C)C
- Molecular Weight1
- 136.23
- CAS
- 1686-30-2
- Other Names
-
- «alpha»-Myrcene
- Alpha myrcene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 37.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.475 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Inp | [981.00; 986.00] |
|
|
| Inp | 981.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 981.00 | NIST | |
| Tboil | 427.38 | K | Relay (1.0) Calculated Property |
| Tc | 623.49 | K | Relay (1.0) Calculated Property |
| Tfus | 197.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [188.50; 449.16] | 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 | -1.45570e+01 | |||
| Coefficient B | 8.93620e-01 | |||
| Coefficient C | -5.93500e-04 | |||
| Coefficient D | 1.63600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 392.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 413.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 449.16 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Octadiene, 2-methyl-6-methylene-.
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
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