- InChI
- InChI=1S/C15H26O2/c1-6-7-8-15(16)17-11-14(13(4)5)10-9-12(2)3/h9,14H,4,6-8,10-11H2,1-3,5H3
- InChI Key
- SSDDVXMTIUESKI-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)CCCC
- Molecular Weight1
- 238.37
- 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° | -9.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 4.268 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1600.00 | kPa | Joback Calculated Property |
| Inp | 1543.00 | NIST | |
| I | [1839.00; 1839.00] |
|
|
| I | 1839.00 | NIST | |
| I | 1839.00 | NIST | |
| Tboil | 619.05 | K | Joback Calculated Property |
| Tc | 802.37 | K | Joback Calculated Property |
| Tfus | 281.21 | K | Joback Calculated Property |
| Vc | 0.857 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.38; 670.05] | J/mol×K | [619.05; 802.37] |
|
| Cp,gas | 578.38 | J/mol×K | 619.05 | Joback Calculated Property |
| Cp,gas | 595.63 | J/mol×K | 649.60 | Joback Calculated Property |
| Cp,gas | 612.05 | J/mol×K | 680.16 | Joback Calculated Property |
| Cp,gas | 627.68 | J/mol×K | 710.71 | Joback Calculated Property |
| Cp,gas | 642.53 | J/mol×K | 741.27 | Joback Calculated Property |
| Cp,gas | 656.65 | J/mol×K | 771.82 | Joback Calculated Property |
| Cp,gas | 670.05 | J/mol×K | 802.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl pentanoate.
Sources
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