- InChI
- InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m0/s1
- InChI Key
- COGPRPSWSKLKTF-YJNKXOJESA-N
- Formula
- C15H26O
- SMILES
- CC1=CC2C(C(C)C)CCC(C)C2(O)CC1
- Molecular Weight1
- 222.37
- CAS
- 21284-22-0
- Other Names
-
- 1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1«alpha»,4«beta»,4a«beta»,8a«alpha»)]-
- (-)-Cubenol
- 10«beta»H-Cadin-4-en-1-ol
- 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° | 8.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1592.00; 1676.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | Outlier 1594.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1651.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | 1651.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | Outlier 1674.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | Outlier 1592.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Inp | Outlier 1592.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | Outlier 1672.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | Outlier 1601.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | Outlier 1595.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | Outlier 1602.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | Outlier 1602.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | Outlier 1600.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | Outlier 1676.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | Outlier 1602.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1624.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | Outlier 1600.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1638.00 | NIST | |
| I | [2030.00; 2097.00] |
|
|
| I | 2097.00 | NIST | |
| I | 2084.00 | NIST | |
| I | 2085.00 | NIST | |
| I | 2063.00 | NIST | |
| I | 2062.00 | NIST | |
| I | 2052.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2052.00 | NIST | |
| I | Outlier 2030.00 | NIST | |
| I | 2074.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2085.00 | NIST | |
| I | Outlier 2043.00 | NIST | |
| I | 2084.00 | NIST | |
| I | 2060.00 | NIST | |
| I | 2066.00 | NIST | |
| I | 2090.00 | NIST | |
| I | 2097.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2054.00 | NIST | |
| I | Outlier 2034.00 | NIST | |
| I | 2059.00 | NIST | |
| I | 2084.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2071.00 | NIST | |
| I | Outlier 2045.00 | NIST | |
| I | 2088.00 | NIST | |
| I | 2090.00 | NIST | |
| I | 2090.00 | NIST | |
| I | 2090.00 | NIST | |
| I | 2086.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2071.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2081.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2097.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2088.00 | NIST | |
| I | 2074.00 | NIST | |
| I | 2063.00 | NIST | |
| I | Outlier 2030.00 | NIST | |
| Tboil | 659.94 | K | Joback Calculated Property |
| Tc | 865.11 | K | Joback Calculated Property |
| Tfus | 355.13 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.80; 704.93] | J/mol×K | [659.94; 865.11] |
|
| Cp,gas | 597.80 | J/mol×K | 659.94 | Joback Calculated Property |
| Cp,gas | 617.79 | J/mol×K | 694.13 | Joback Calculated Property |
| Cp,gas | 636.77 | J/mol×K | 728.33 | Joback Calculated Property |
| Cp,gas | 654.86 | J/mol×K | 762.52 | Joback Calculated Property |
| Cp,gas | 672.18 | J/mol×K | 796.72 | Joback Calculated Property |
| Cp,gas | 688.83 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 704.93 | J/mol×K | 865.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cubenol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.