- InChI
- InChI=1S/C15H26O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,12,14H,5,8-10H2,1-4,6H3/t14-/m1/s1
- InChI Key
- WFRXIBJXHAPSPP-CQSZACIVSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)CC(C)C
- Molecular Weight1
- 238.37
- CAS
- 51117-21-6
- 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 | 0.5658 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.124 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1518.00] |
|
|
| Inp | 1518.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1500.00 | NIST | |
| I | 1761.00 | NIST | |
| Tboil | 517.93 | K | Relay (1.0) Calculated Property |
| Tc | 702.06 | K | Relay (1.0) Calculated Property |
| Tfus | 216.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.77; 671.96] | J/mol×K | [618.61; 805.10] |
|
| Cp,gas | 578.77 | J/mol×K | 618.61 | Joback Calculated Property |
| Cp,gas | 596.36 | J/mol×K | 649.69 | Joback Calculated Property |
| Cp,gas | 613.08 | J/mol×K | 680.77 | Joback Calculated Property |
| Cp,gas | 628.98 | J/mol×K | 711.86 | Joback Calculated Property |
| Cp,gas | 644.07 | J/mol×K | 742.94 | Joback Calculated Property |
| Cp,gas | 658.39 | J/mol×K | 774.02 | Joback Calculated Property |
| Cp,gas | 671.96 | J/mol×K | 805.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lavandulyl isovalerate.
Sources
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