- InChI
- InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
- InChI Key
- ALKCLFLTXBBMMP-UHFFFAOYSA-N
- Formula
- C16H28O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)CCCCC
- Molecular Weight1
- 252.39
- CAS
- 7779-23-9
- Other Names
-
- Linalyl n-hexanoate
- 1,5-Dimethyl-1-vinyl-4-hexenyl hexanoate
- Linalyl hexanoate
- Linalyl caproate
- 1,5-dimethyl-1-vinylhex-4-enyl hexanoate
- 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° | 12.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 1490.74 | kPa | Joback Calculated Property |
| Inp | 1582.00 | NIST | |
| I | [1843.00; 1844.00] |
|
|
| I | 1844.00 | NIST | |
| I | 1843.00 | NIST | |
| I | 1844.00 | NIST | |
| Tboil | 639.26 | K | Joback Calculated Property |
| Tc | 823.96 | K | Joback Calculated Property |
| Tfus | 323.86 | K | Joback Calculated Property |
| Vc | 0.906 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.68; 728.57] | J/mol×K | [639.26; 823.96] |
|
| Cp,gas | 634.68 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 652.49 | J/mol×K | 670.04 | Joback Calculated Property |
| Cp,gas | 669.37 | J/mol×K | 700.83 | Joback Calculated Property |
| Cp,gas | 685.38 | J/mol×K | 731.61 | Joback Calculated Property |
| Cp,gas | 700.55 | J/mol×K | 762.39 | Joback Calculated Property |
| Cp,gas | 714.93 | J/mol×K | 793.18 | Joback Calculated Property |
| Cp,gas | 728.57 | J/mol×K | 823.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester.
Sources
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