![Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,3a«beta»,4«alpha»,7«beta»)]-](/cid/21-594-9/Azulene-1-2-3-3a-4-5-6-7-octahydro-1-4-dimethyl-7-1-methylethenyl-1R-1-alpha-3a-beta-4-alpha-7-beta.png "Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,3a«beta»,4«alpha»,7«beta»)]-")
- InChI
- InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9,11-14H,1,5-8H2,2-4H3
- InChI Key
- DUYRYUZIBGFLDD-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- C=C(C)C1C=C2C(C)CCC2C(C)CC1
- Molecular Weight1
- 204.35
- CAS
- 22567-17-5
- Other Names
-
- 1«beta»,4«beta»H,10«beta»H-Guaia-5,11-diene
- «gamma»-Gurjunene
- [1R-(1«alpha»,3a«beta»,4«alpha»,7«beta»)]-1,2,3,3a,4,5,6,7-octahydro-7-isopropenyl-1,4-dimethylazulene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 4.581 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Inp | [1444.00; 1491.00] |
|
|
| Inp | 1482.10 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | Outlier 1444.00 | NIST | |
| Inp | Outlier 1444.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1476.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | Outlier 1444.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1476.80 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | Outlier 1490.00 | NIST | |
| Inp | 1467.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1472.20 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | Outlier 1446.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | Outlier 1491.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | Outlier 1451.00 | NIST | |
| Inp | 1454.00 | NIST | |
| Inp | Outlier 1451.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1471.00 | NIST | |
| I | [1635.00; 1714.00] |
|
|
| I | 1675.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1650.00 | NIST | |
| I | Outlier 1714.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1674.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.34; 625.69] | J/mol×K | [564.52; 780.55] |
|
| Cp,gas | 501.34 | J/mol×K | 564.52 | Joback Calculated Property |
| Cp,gas | 525.40 | J/mol×K | 600.53 | Joback Calculated Property |
| Cp,gas | 548.06 | J/mol×K | 636.53 | Joback Calculated Property |
| Cp,gas | 569.37 | J/mol×K | 672.54 | Joback Calculated Property |
| Cp,gas | 589.37 | J/mol×K | 708.54 | Joback Calculated Property |
| Cp,gas | 608.13 | J/mol×K | 744.55 | Joback Calculated Property |
| Cp,gas | 625.69 | J/mol×K | 780.55 | Joback Calculated Property |
Similar Compounds
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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Take the time to validate and double check the source of the data.
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that the value is more than 2 standard deviations away from the
property mean.
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