- InChI
- InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
- InChI Key
- RGZSQWQPBWRIAQ-CABCVRRESA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)(O)C1CC=C(C)CC1
- Molecular Weight1
- 222.37
- CAS
- 515-69-5
- Other Names
-
- Bisabolol
- 3-Cyclohexene-1-methanol, «alpha»,4-dimethyl-«alpha»-(4-methyl-3-pentenyl)-, (R*,R*)-
- 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-
- «alpha»,4-Dimethyl-«alpha»-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
- 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol
- (R*,R*)-«alpha»,4-Dimethyl-«alpha»-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol
- (R*,R*)-«alpha»,4-Dimethyl-«alpha»-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol
- 3-Cyclohexene-1-methanol, «alpha»,4-dimethyl-«alpha»-(4-methyl-3-penten-1-yl)-, («alpha»R,1R)-rel-
- 3-Cyclohexene-1-methanol, «alpha»,4-dimethyl-«alpha»-(4-methyl-3-pentenyl)-, («alpha»R,1R)-rel-
- Camilol
- Dragosantol
- Hydagen B
- dl-«alpha»-Bisabolol
- «alpha»-bisabolool
- «alpha»-Bisabalol
- 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° | 57.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [1632.00; 1710.10] |
|
|
| Inp | 1664.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | Outlier 1650.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | Outlier 1704.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1687.60 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1688.70 | NIST | |
| Inp | 1695.70 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | Outlier 1710.10 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | Outlier 1646.40 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | 1658.50 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | Outlier 1705.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Inp | Outlier 1637.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1681.40 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1653.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | Outlier 1632.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | Outlier 1707.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | Outlier 1708.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | Outlier 1637.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | Outlier 1649.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | Outlier 1707.00 | NIST | |
| Inp | 1671.00 | NIST | |
| I | [2166.00; 2237.00] |
|
|
| I | 2232.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2178.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2186.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2233.00 | NIST | |
| I | 2235.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2227.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2230.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2215.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2190.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2199.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2222.00 | NIST | |
| I | 2212.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2222.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2195.00 | NIST | |
| I | Outlier 2168.00 | NIST | |
| I | 2193.00 | NIST | |
| I | 2220.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2224.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2224.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2179.00 | NIST | |
| I | 2179.00 | NIST | |
| I | Outlier 2166.00 | NIST | |
| I | 2205.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2201.00 | NIST | |
| I | 2224.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2218.00 | NIST | |
| I | 2214.00 | NIST | |
| I | 2180.00 | NIST | |
| I | 2201.00 | NIST | |
| I | 2213.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2219.00 | NIST | |
| I | 2219.00 | NIST | |
| I | Outlier 2175.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| Tboil | 659.28 | K | Joback Calculated Property |
| Tc | 857.10 | K | Joback Calculated Property |
| Tfus | 323.67 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.62; 683.15] | J/mol×K | [659.28; 857.10] |
|
| Cp,gas | 589.62 | J/mol×K | 659.28 | Joback Calculated Property |
| Cp,gas | 607.64 | J/mol×K | 692.25 | Joback Calculated Property |
| Cp,gas | 624.61 | J/mol×K | 725.22 | Joback Calculated Property |
| Cp,gas | 640.58 | J/mol×K | 758.19 | Joback Calculated Property |
| Cp,gas | 655.62 | J/mol×K | 791.16 | Joback Calculated Property |
| Cp,gas | 669.79 | J/mol×K | 824.13 | Joback Calculated Property |
| Cp,gas | 683.15 | J/mol×K | 857.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Bisabolol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.