- InChI
- InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3
- InChI Key
- CUUMXRBKJIDIAY-UHFFFAOYSA-N
- Formula
- C15H20
- SMILES
- CC1=CCC(C(C)C)c2cc(C)ccc21
- Molecular Weight1
- 200.33
- Other Names
-
- 1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene, (S)-
- «alpha»-Calacorene, (+)-
- Cadina-1,3,5,9-tetraene
- (E)-Calacorene
- «alpha»-Colocarene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Ip : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 4.542 | Crippen Calculated Property | |
| McVol | 183.290 | ml/mol | McGowan Calculated Property |
| Inp | [1511.00; 1585.00] |
|
|
| Inp | Outlier 1585.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | Outlier 1517.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | Outlier 1513.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | Outlier 1517.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | Outlier 1516.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.50 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | Outlier 1584.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | Outlier 1514.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | Outlier 1512.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | Outlier 1512.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | Outlier 1511.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | Outlier 1580.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | Outlier 1515.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | Outlier 1574.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | Outlier 1583.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1546.50 | NIST | |
| Inp | Outlier 1585.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Ip | [1880.00; 1970.00] |
|
|
| Ip | 1930.00 | NIST | |
| Ip | 1926.00 | NIST | |
| Ip | 1948.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1901.00 | NIST | |
| Ip | 1903.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Ip | 1901.00 | NIST | |
| Ip | 1894.00 | NIST | |
| Ip | 1894.00 | NIST | |
| Ip | 1887.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1898.00 | NIST | |
| Ip | 1919.00 | NIST | |
| Ip | 1895.00 | NIST | |
| Ip | 1894.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1906.00 | NIST | |
| Ip | 1895.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1888.00 | NIST | |
| Ip | 1920.00 | NIST | |
| Ip | 1887.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 1910.00 | NIST | |
| Ip | 1920.00 | NIST | |
| Ip | Outlier 1970.00 | NIST | |
| Ip | Outlier 1880.00 | NIST | |
| Ip | 1894.00 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 1932.00 | NIST | |
| Ip | 1907.00 | NIST | |
| Ip | 1939.00 | NIST | |
| Ip | 1915.00 | NIST | |
| Ip | 1893.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Ip | 1918.00 | NIST | |
| Ip | 1928.00 | NIST | |
| Ip | 1890.00 | NIST | |
| Ip | 1893.00 | NIST | |
| Ip | 1922.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1918.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1915.00 | NIST | |
| Ip | 1915.00 | NIST | |
| Ip | 1921.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Ip | 1919.00 | NIST | |
| Ip | 1911.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1960.00 | NIST | |
| Ip | 1948.00 | NIST | |
| Ip | 1898.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 1918.00 | NIST | |
| Ip | 1918.00 | NIST | |
| Ip | 1940.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1940.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1940.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1940.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1916.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1937.00 | NIST | |
| Ip | 1938.00 | NIST | |
| Ip | 1936.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1941.00 | NIST | |
| Ip | 1936.00 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.96; 616.30] | 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 | -5.10200e+01 | |||
| Coefficient B | 1.26268e+00 | |||
| Coefficient C | -7.86560e-04 | |||
| Coefficient D | 1.91200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 305.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 364.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 416.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 462.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 502.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 537.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 567.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 593.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 616.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015769; 0.0002966] | Pa×s | [322.97; 571.06] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.02981e+01 | |||
| Coefficient B | 1.24207e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 322.97 | |||
| Temperature range, max. | 571.06 | |||
| η | 0.0015769 | Pa×s | 322.97 | Calculated Property |
| η | 0.0011654 | Pa×s | 350.54 | Calculated Property |
| η | 0.0009001 | Pa×s | 378.10 | Calculated Property |
| η | 0.0007200 | Pa×s | 405.67 | Calculated Property |
| η | 0.0005925 | Pa×s | 433.23 | Calculated Property |
| η | 0.0004992 | Pa×s | 460.80 | Calculated Property |
| η | 0.0004287 | Pa×s | 488.37 | Calculated Property |
| η | 0.0003742 | Pa×s | 515.93 | Calculated Property |
| η | 0.0003312 | Pa×s | 543.50 | Calculated Property |
| η | 0.0002966 | Pa×s | 571.06 | Calculated Property |
Similar Compounds
Find more compounds similar to .alpha.-Calacorene.
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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