- InChI
- InChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3
- InChI Key
- HPBLXFPAJRUZKY-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)C(C)C
- Molecular Weight1
- 224.34
- CAS
- 51117-20-5
- 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 | 0.5245 | Relay (... Calculated Property | |
| ΔfG° | -20.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -3.63 | Relay (... Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1417.30] |
|
|
| Inp | 1404.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1417.30 | NIST | |
| I | 1677.00 | NIST | |
| Tboil | 517.10 | K | Relay (... Calculated Property |
| Tc | 686.74 | K | Relay (... Calculated Property |
| Tfus | 229.24 | K | Relay (... Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.35; 617.03] | J/mol×K | [595.73; 784.18] |
|
| Cp,gas | 526.35 | J/mol×K | 595.73 | Joback Calculated Property |
| Cp,gas | 543.47 | J/mol×K | 627.14 | Joback Calculated Property |
| Cp,gas | 559.75 | J/mol×K | 658.55 | Joback Calculated Property |
| Cp,gas | 575.21 | J/mol×K | 689.96 | Joback Calculated Property |
| Cp,gas | 589.90 | J/mol×K | 721.36 | Joback Calculated Property |
| Cp,gas | 603.83 | J/mol×K | 752.77 | Joback Calculated Property |
| Cp,gas | 617.03 | J/mol×K | 784.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl isobutyrate.
Sources
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