- InChI
- InChI=1S/C11H22O/c1-5-11(12,6-2)9-7-8-10(3)4/h8,12H,5-7,9H2,1-4H3
- InChI Key
- OKANGIKHTABXMV-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CCC(O)(CC)CCC=C(C)C
- Molecular Weight1
- 170.29
- 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° | -20.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.284 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | [1168.90; 1168.90] |
|
|
| Inp | 1168.90 | NIST | |
| Inp | 1168.90 | NIST | |
| Tboil | 544.07 | K | Joback Calculated Property |
| Tc | 718.97 | K | Joback Calculated Property |
| Tfus | 257.93 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.20; 490.23] | J/mol×K | [544.07; 718.97] |
|
| Cp,gas | 413.20 | J/mol×K | 544.07 | Joback Calculated Property |
| Cp,gas | 427.75 | J/mol×K | 573.22 | Joback Calculated Property |
| Cp,gas | 441.56 | J/mol×K | 602.37 | Joback Calculated Property |
| Cp,gas | 454.68 | J/mol×K | 631.52 | Joback Calculated Property |
| Cp,gas | 467.14 | J/mol×K | 660.67 | Joback Calculated Property |
| Cp,gas | 478.98 | J/mol×K | 689.82 | Joback Calculated Property |
| Cp,gas | 490.23 | J/mol×K | 718.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl linalool 1.
Sources
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