- InChI
- InChI=1S/C14H26O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h8,10-12H,7,9H2,1-6H3/b13-8-
- InChI Key
- ZEOZKJMELMMXOU-JYRVWZFOSA-N
- Formula
- C14H26O2
- SMILES
- CC(C)C/C=C(/COC(=O)C(C)C)C(C)C
- Molecular Weight1
- 226.36
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.5282 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -539.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.56 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1631.17 | kPa | Joback Calculated Property |
| Tboil | 494.15 | K | Relay (1.0) Calculated Property |
| Tc | 687.44 | K | Relay (1.0) Calculated Property |
| Tfus | 227.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.766 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.79; 636.54] | J/mol×K | [580.86; 764.22] | 
|
| Cp,gas | 540.79 | J/mol×K | 580.86 | Joback Calculated Property |
| Cp,gas | 558.87 | J/mol×K | 611.42 | Joback Calculated Property |
| Cp,gas | 576.06 | J/mol×K | 641.98 | Joback Calculated Property |
| Cp,gas | 592.40 | J/mol×K | 672.54 | Joback Calculated Property |
| Cp,gas | 607.91 | J/mol×K | 703.10 | Joback Calculated Property |
| Cp,gas | 622.61 | J/mol×K | 733.66 | Joback Calculated Property |
| Cp,gas | 636.54 | J/mol×K | 764.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl isobutanoate.
Sources
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