- InChI
- InChI=1S/C17H30O2/c1-6-8-9-10-13-16(18)19-17(5,7-2)14-11-12-15(3)4/h7,12H,2,6,8-11,13-14H2,1,3-5H3
- InChI Key
- APBQXTVQNYJPRE-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(=O)CCCCCC
- Molecular Weight1
- 266.42
- 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 | 0.6637 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.191 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | 1670.00 | NIST | |
| I | 1930.00 | NIST | |
| Tboil | 556.37 | K | Relay (1.0) Calculated Property |
| Tc | 725.91 | K | Relay (1.0) Calculated Property |
| Tfus | 229.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.61; 785.41] | J/mol×K | [662.14; 845.50] | 
|
| Cp,gas | 689.61 | J/mol×K | 662.14 | Joback Calculated Property |
| Cp,gas | 707.75 | J/mol×K | 692.70 | Joback Calculated Property |
| Cp,gas | 724.97 | J/mol×K | 723.26 | Joback Calculated Property |
| Cp,gas | 741.30 | J/mol×K | 753.82 | Joback Calculated Property |
| Cp,gas | 756.78 | J/mol×K | 784.38 | Joback Calculated Property |
| Cp,gas | 771.47 | J/mol×K | 814.94 | Joback Calculated Property |
| Cp,gas | 785.41 | J/mol×K | 845.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalyl heptanoate.
Sources
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