![2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-](/cid/68-548-9/2-Furanmethanol-tetrahydro-alpha-alpha-5-trimethyl-5-4-methyl-3-cyclohexen-1-yl-2S-2-alpha-5-beta-R.png "2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R*)]]-")
- InChI
- InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3/t12?,13-,15-/m0/s1
- InChI Key
- RKBAYVATPNYHLW-MHEXWIEDSA-N
- Formula
- C15H26O2
- SMILES
-
CC1=CCC(C2(C)CCC(C(C)(C)O)O2)C
C1 - Molecular Weight1
- 238.37
- CAS
- 26184-88-3
- Other Names
-
- 2-((2S,5S)-5-Methyl-5-((S)-4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol
- «alpha»-Bisabolol oxide B
- Bisabolol oxide II
- 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-
- 2-Furanmethanol, tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, [2S-[2«alpha»,5«beta»(R)]]-
- (-)-Bisabolol oxide B
- (-)-«alpha»-Bisabolol oxide B
- [2S-[2«alpha»,5«beta»(R*)]]-tetrahydro-«alpha»,«alpha»,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol
- ω : Acentric Factor.
- 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).
- 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 | 0.5810 | Relay (... Calculated Property | |
| ΔfG° | -76.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -2.55 | Relay (... Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Inp | [1644.00; 1676.00] |
|
|
| Inp | 1658.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | Outlier 1676.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | Outlier 1676.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1649.00 | NIST | |
| I | [2156.00; 2163.00] |
|
|
| I | 2156.00 | NIST | |
| I | Outlier 2163.00 | NIST | |
| I | 2156.00 | NIST | |
| I | 2157.00 | NIST | |
| I | 2157.00 | NIST | |
| I | 2156.00 | NIST | |
| Tboil | 577.81 | K | Relay (... Calculated Property |
| Tc | 791.16 | K | Relay (... Calculated Property |
| Tfus | 355.40 | K | Relay (... Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.37; 741.67] | J/mol×K | [693.04; 909.66] |
|
| Cp,gas | 635.37 | J/mol×K | 693.04 | Joback Calculated Property |
| Cp,gas | 655.24 | J/mol×K | 729.14 | Joback Calculated Property |
| Cp,gas | 674.05 | J/mol×K | 765.25 | Joback Calculated Property |
| Cp,gas | 691.94 | J/mol×K | 801.35 | Joback Calculated Property |
| Cp,gas | 709.08 | J/mol×K | 837.46 | Joback Calculated Property |
| Cp,gas | 725.60 | J/mol×K | 873.56 | Joback Calculated Property |
| Cp,gas | 741.67 | J/mol×K | 909.66 | 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.