- InChI
- InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
- InChI Key
- BRHDDEIRQPDPMG-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- C=CC1(C)CCC(C(C)(C)O)O1
- Molecular Weight1
- 170.25
- 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.
- 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° | -75.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.87 | 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 | 2947.28 | kPa | Joback Calculated Property |
| Inp | [1077.00; 1091.00] |
|
|
| Inp | 1077.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Tboil | 551.63 | K | Joback Calculated Property |
| Tc | 752.27 | K | Joback Calculated Property |
| Tfus | 321.07 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.75; 463.60] | J/mol×K | [551.63; 752.27] |
|
| Cp,gas | 383.75 | J/mol×K | 551.63 | Joback Calculated Property |
| Cp,gas | 399.17 | J/mol×K | 585.07 | Joback Calculated Property |
| Cp,gas | 413.59 | J/mol×K | 618.51 | Joback Calculated Property |
| Cp,gas | 427.13 | J/mol×K | 651.95 | Joback Calculated Property |
| Cp,gas | 439.91 | J/mol×K | 685.39 | Joback Calculated Property |
| Cp,gas | 452.03 | J/mol×K | 718.83 | Joback Calculated Property |
| Cp,gas | 463.60 | J/mol×K | 752.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalool oxide (isomer I).
Sources
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