- InChI
- InChI=1S/C13H24O2/c1-6-13(7-2,15-12(5)14)10-8-9-11(3)4/h9H,6-8,10H2,1-5H3
- InChI Key
- KVHMWAPYAFPSRE-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCC(CC)(CCC=C(C)C)OC(C)=O
- Molecular Weight1
- 212.33
- 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 | 0.5316 | Relay (... Calculated Property | |
| ΔfG° | -100.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.37 | eV | Relay (... Calculated Property |
| log10WS | -3.34 | Relay (... Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1820.06 | kPa | Joback Calculated Property |
| Inp | [1316.50; 1333.90] |
|
|
| Inp | 1316.50 | NIST | |
| Inp | 1316.50 | NIST | |
| Inp | 1333.90 | NIST | |
| I | [1629.00; 1653.00] |
|
|
| I | 1629.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1653.00 | NIST | |
| Tboil | 511.27 | K | Relay (... Calculated Property |
| Tc | 679.67 | K | Relay (... Calculated Property |
| Tfus | 239.10 | K | Relay (... Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.53; 588.34] | J/mol×K | [573.94; 761.04] |
|
| Cp,gas | 498.53 | J/mol×K | 573.94 | Joback Calculated Property |
| Cp,gas | 515.55 | J/mol×K | 605.12 | Joback Calculated Property |
| Cp,gas | 531.70 | J/mol×K | 636.31 | Joback Calculated Property |
| Cp,gas | 547.02 | J/mol×K | 667.49 | Joback Calculated Property |
| Cp,gas | 561.54 | J/mol×K | 698.67 | Joback Calculated Property |
| Cp,gas | 575.30 | J/mol×K | 729.85 | Joback Calculated Property |
| Cp,gas | 588.34 | J/mol×K | 761.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl linalyl acetate 1.
Sources
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