- InChI
- InChI=1S/C12H22O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h6,9H,1,7-8,10H2,2-5H3
- InChI Key
- GSFBRCUXDDCNKV-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- C=CC(C)(CCC=C(C)C)OCC
- Molecular Weight1
- 182.30
- CAS
- 72845-33-1
- Other Names
-
- 3-Ethoxy-3,7-dimethyl-1,6-octadiene
- Ethyl linalool
- 3-ethoxy-3,7-dimethylocta-1,6-diene
- Ethoxylinalool
- 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).
- 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° | 107.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.714 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| I | [1725.00; 1725.00] |
|
|
| I | 1725.00 | NIST | |
| I | 1725.00 | NIST | |
| Tboil | 493.87 | K | Joback Calculated Property |
| Tc | 677.89 | K | Joback Calculated Property |
| Tfus | 228.85 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.04; 493.93] | J/mol×K | [493.87; 677.89] |
|
| Cp,gas | 403.04 | J/mol×K | 493.87 | Joback Calculated Property |
| Cp,gas | 420.23 | J/mol×K | 524.54 | Joback Calculated Property |
| Cp,gas | 436.55 | J/mol×K | 555.21 | Joback Calculated Property |
| Cp,gas | 452.04 | J/mol×K | 585.88 | Joback Calculated Property |
| Cp,gas | 466.75 | J/mol×K | 616.55 | Joback Calculated Property |
| Cp,gas | 480.70 | J/mol×K | 647.22 | Joback Calculated Property |
| Cp,gas | 493.93 | J/mol×K | 677.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-.
Sources
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