![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).
- 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.
- I : 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° | 232.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 4.581 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback 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 | Outlier 1454.00 | NIST | |
| Inp | Outlier 1446.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | Outlier 1491.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | Outlier 1454.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | Outlier 1451.00 | NIST | |
| Inp | Outlier 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 | |
| Inp | 1476.80 | NIST | |
| Inp | 1469.00 | 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 | |
| I | 1676.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1675.00 | NIST | |
| Tboil | 564.52 | K | Joback Calculated Property |
| Tc | 780.55 | K | Joback Calculated Property |
| Tfus | 269.69 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
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
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.