- InChI
- InChI=1S/C15H26O2/c1-7-13(6)15(16)17-10-14(12(4)5)9-8-11(2)3/h8,13-14H,4,7,9-10H2,1-3,5-6H3
- InChI Key
- WBUQEUATHWMFQO-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C=C(C)C(CC=C(C)C)COC(=O)C(C)CC
- Molecular Weight1
- 238.37
- CAS
- 17609-96-0
- 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.
- 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 | 0.5544 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | 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 | 1512.60 | NIST | |
| Tboil | 527.65 | K | Relay (1.0) Calculated Property |
| Tc | 704.56 | K | Relay (1.0) Calculated Property |
| Tfus | 225.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | 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 (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate.
Sources
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