- InChI
- InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3
- InChI Key
- IRWLDXUJBJPFNV-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- C=CC1(C)CCC(OC(C)=O)C(C)(C)O1
- Molecular Weight1
- 212.29
- CAS
- 56752-50-2
- Other Names
-
- trans-Linalool oxide (pyranoid), acetate
- trans-Linalool oxide acetate
- (E)-linalool oxide acetate pyr
- 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6S)-rel-
- linalool Oxide qacetate
- linalool oxide acetate
- 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° | -183.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1275.00; 1292.00] |
|
|
| Inp | 1282.70 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1282.70 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1275.00 | NIST | |
| I | [1619.00; 1619.00] |
|
|
| I | 1619.00 | NIST | |
| I | 1619.00 | NIST | |
| Tboil | 584.57 | K | Joback Calculated Property |
| Tc | 802.13 | K | Joback Calculated Property |
| Tfus | 368.67 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.51; 564.77] | J/mol×K | [584.57; 802.13] |
|
| Cp,gas | 466.51 | J/mol×K | 584.57 | Joback Calculated Property |
| Cp,gas | 484.78 | J/mol×K | 620.83 | Joback Calculated Property |
| Cp,gas | 502.05 | J/mol×K | 657.09 | Joback Calculated Property |
| Cp,gas | 518.51 | J/mol×K | 693.35 | Joback Calculated Property |
| Cp,gas | 534.33 | J/mol×K | 729.61 | Joback Calculated Property |
| Cp,gas | 549.69 | J/mol×K | 765.87 | Joback Calculated Property |
| Cp,gas | 564.77 | J/mol×K | 802.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Linalool oxide acetate (pyranoid).
Sources
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