- 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
- 200.32
- CAS
- 21391-99-1
- Other Names
-
- 1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene, (S)-
- «alpha»-Calacorene, (+)-
- Cadina-1,3,5,9-tetraene
- (E)-Calacorene
- «alpha»-Colocarene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4197 | Relay (... Calculated Property | |
| ΔfG° | 235.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.18 | kJ/mol | Relay (... Calculated Property |
| IE | 7.78 | eV | Relay (... Calculated Property |
| log10WS | -5.04 | Relay (... Calculated Property | |
| logPoct/wat | 4.542 | Crippen Calculated Property | |
| McVol | 183.290 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback 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 | 1549.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1546.50 | NIST | |
| Inp | Outlier 1585.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1535.00 | NIST | |
| I | [1880.00; 1970.00] |
|
|
| I | 1930.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1903.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1887.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1919.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1888.00 | NIST | |
| I | 1920.00 | NIST | |
| I | 1887.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1920.00 | NIST | |
| I | Outlier 1970.00 | NIST | |
| I | Outlier 1880.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1932.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1939.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1893.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1928.00 | NIST | |
| I | 1890.00 | NIST | |
| I | 1893.00 | NIST | |
| I | 1922.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1921.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1919.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1960.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1918.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1938.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1941.00 | NIST | |
| I | 1936.00 | NIST | |
| Tboil | 558.35 | K | Relay (... Calculated Property |
| Tc | 764.88 | K | Relay (... Calculated Property |
| Tfus | 301.12 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.53; 559.31] | J/mol×K | [593.95; 815.53] |
|
| Cp,gas | 461.53 | J/mol×K | 593.95 | Joback Calculated Property |
| Cp,gas | 480.53 | J/mol×K | 630.88 | Joback Calculated Property |
| Cp,gas | 498.37 | J/mol×K | 667.81 | Joback Calculated Property |
| Cp,gas | 515.11 | J/mol×K | 704.74 | Joback Calculated Property |
| Cp,gas | 530.81 | J/mol×K | 741.67 | Joback Calculated Property |
| Cp,gas | 545.52 | J/mol×K | 778.60 | Joback Calculated Property |
| Cp,gas | 559.31 | J/mol×K | 815.53 | Joback Calculated Property |
| η | [0.0002728; 0.0015769] | Pa×s | [322.97; 593.95] |
|
| η | 0.0015769 | Pa×s | 322.97 | Joback Calculated Property |
| η | 0.0009838 | Pa×s | 368.13 | Joback Calculated Property |
| η | 0.0006804 | Pa×s | 413.30 | Joback Calculated Property |
| η | 0.0005061 | Pa×s | 458.46 | Joback Calculated Property |
| η | 0.0003969 | Pa×s | 503.62 | Joback Calculated Property |
| η | 0.0003240 | Pa×s | 548.79 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 593.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Calacorene.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.