- InChI
- InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
- InChI Key
- BCTBAGTXFYWYMW-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CC1(C)CCC(O)C(C)(C)O1
- Molecular Weight1
- 170.25
- CAS
- 39028-58-5
- Other Names
-
- trans-Linalool 3,7-oxide
- trans-Pyranoid linalool oxide
- Linalool 3,7-oxide, trans-
- Pyranoid linalool oxide, trans-
- trans-linalool oxide (pyranoid)
- linalool oxide, trans-pyranoid
- (E)-pyran linalool oxide
- (E)-Linalool oxide (pyranoid)
- (E)-Linalol pyranoxide
- trans-Linalool oxide (pyran)
- trans-Linalol oxide (pyranoid)
- Linalool oxide I (pyran)
- trans-pyran linalool oxide
- linalool oxide C (trans-THP)
- trans-Linalool oxide (pyranyl ring)
- linalool oxide (III)
- t-Pyran linalool oxide
- Linalool oxide I (pyranoid)
- trans-pyranic linalool oxide
- trans-pyranic linalool oxid
- (E)-Linallol oxide (pyran)
- E-Pyranoid linalool oxide
- linalool oxide IV (trans, pyranoid)
- Linalool E-pyranic oxide
- 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° | -103.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.88 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 1.881 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | [1147.00; 1199.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | Outlier 1199.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | Outlier 1199.00 | NIST | |
| I | [1698.00; 1778.00] |
|
|
| I | 1741.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1742.30 | NIST | |
| I | 1731.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1756.00 | NIST | |
| I | 1747.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1753.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1729.00 | NIST | |
| I | Outlier 1778.00 | NIST | |
| I | Outlier 1698.00 | NIST | |
| I | Outlier 1698.00 | NIST | |
| I | 1727.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1735.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1747.00 | NIST | |
| Tboil | 554.70 | K | Joback Calculated Property |
| Tc | 757.96 | K | Joback Calculated Property |
| Tfus | 334.79 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.60; 463.72] | J/mol×K | [554.70; 757.96] |
|
| Cp,gas | 381.60 | J/mol×K | 554.70 | Joback Calculated Property |
| Cp,gas | 397.07 | J/mol×K | 588.58 | Joback Calculated Property |
| Cp,gas | 411.62 | J/mol×K | 622.45 | Joback Calculated Property |
| Cp,gas | 425.40 | J/mol×K | 656.33 | Joback Calculated Property |
| Cp,gas | 438.57 | J/mol×K | 690.21 | Joback Calculated Property |
| Cp,gas | 451.29 | J/mol×K | 724.08 | Joback Calculated Property |
| Cp,gas | 463.72 | J/mol×K | 757.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.