- InChI
- InChI=1S/C15H26O2/c1-7-13(6)15(16)17-10-14(12(4)5)9-8-11(2)3/h13-14H,2,4,7-10H2,1,3,5-6H3
- InChI Key
- IBKFLDWCDDVSDC-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)CCC(COC(=O)C(C)CC)C(=C)C
- Molecular Weight1
- 238.37
- Other Names
-
- Lavandulyl 2-methylbutyrate
- 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° | -4.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 4.124 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1512.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1495.00 | NIST | |
| I | 1759.00 | NIST | |
| Tboil | 611.13 | K | Joback Calculated Property |
| Tc | 793.92 | K | Joback Calculated Property |
| Tfus | 269.53 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.03; 669.96] | J/mol×K | [611.13; 793.92] |
|
| Cp,gas | 577.03 | J/mol×K | 611.13 | Joback Calculated Property |
| Cp,gas | 594.52 | J/mol×K | 641.60 | Joback Calculated Property |
| Cp,gas | 611.17 | J/mol×K | 672.06 | Joback Calculated Property |
| Cp,gas | 627.02 | J/mol×K | 702.53 | Joback Calculated Property |
| Cp,gas | 642.09 | J/mol×K | 732.99 | Joback Calculated Property |
| Cp,gas | 656.39 | J/mol×K | 763.46 | Joback Calculated Property |
| Cp,gas | 669.96 | J/mol×K | 793.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyle 2-methylbutyrate.
Sources
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