- 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/t8-,10+/m1/s1
- InChI Key
- BCTBAGTXFYWYMW-SCZZXKLOSA-N
- Formula
- C10H18O2
- SMILES
- C=CC1(C)CCC(O)C(C)(C)O1
- Molecular Weight1
- 170.25
- CAS
- 14009-71-3
- Other Names
-
- cis-Linalool 3,7-oxide
- cis-Pyranoid linalool oxide
- Linalool 3,7-oxide, cis-
- Pyranoid linalool oxide, cis-
- cis-Linalool Oxide, pyranoid
- linalool oxide, cis-pyranoid
- cis-linalool pyran oxide
- (Z)-Linalol pyranoxide
- cis-Linalool oxide (pyran)
- (Z)-pyran linalool oxide
- cis-pyran linalool oxide
- cis-Linalol oxide (pyranoid)
- ( Z)-linalool oxide (pyranoid)
- cis-Linalool oxide (pyranyl ring)
- cis-2,6-Dimethyl-2,6-epoxy-7-octen-3-ol
- cis-linalol pyranoxide
- cis-pyranic linalool oxid
- linalool oxide III (cis, pyranoid)
- Z-Pyranoid linalool oxide
- Linalool oxide (pyranoid) cis
- cis-linalool pyranoid oxide
- (Z)-Linallol oxide (pyran)
- 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 | 0.4472 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) 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 | [1155.00; 1186.00] |
|
|
| Inp | 1160.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1186.00 | NIST | |
| I | [1700.00; 1784.00] |
|
|
| I | 1764.00 | NIST | |
| I | Outlier 1700.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1768.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1748.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1758.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1744.00 | NIST | |
| I | 1768.80 | NIST | |
| I | 1708.00 | NIST | |
| I | 1758.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1769.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1739.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1764.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1756.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1772.00 | NIST | |
| I | Outlier 1700.00 | NIST | |
| I | 1741.00 | NIST | |
| I | 1743.00 | NIST | |
| Tboil | 496.11 | K | Relay (1.0) Calculated Property |
| Tc | 680.08 | K | Relay (1.0) Calculated Property |
| Tfus | 280.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) 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,6R)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol.
Sources
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