- InChI
- InChI=1S/C15H26O3/c1-7-12(6)15(17)18-9-13(10(2)3)8-14(16)11(4)5/h12-14,16H,2,4,7-9H2,1,3,5-6H3
- InChI Key
- YQYGOUBLFZCTSE-UHFFFAOYSA-N
- Formula
- C15H26O3
- SMILES
-
C=C(C)C(O)CC(COC(=O)C(C)CC)C(=
C)C - Molecular Weight1
- 254.37
- 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 | 0.7308 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.095 | Crippen Calculated Property | |
| McVol | 226.920 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 1628.00 | NIST | |
| I | 2309.00 | NIST | |
| Tboil | 549.91 | K | Relay (1.0) Calculated Property |
| Tc | 741.86 | K | Relay (1.0) Calculated Property |
| Tfus | 280.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.48; 724.80] | J/mol×K | [702.87; 883.34] | 
|
| Cp,gas | 645.48 | J/mol×K | 702.87 | Joback Calculated Property |
| Cp,gas | 660.53 | J/mol×K | 732.95 | Joback Calculated Property |
| Cp,gas | 674.82 | J/mol×K | 763.03 | Joback Calculated Property |
| Cp,gas | 688.36 | J/mol×K | 793.11 | Joback Calculated Property |
| Cp,gas | 701.19 | J/mol×K | 823.18 | Joback Calculated Property |
| Cp,gas | 713.33 | J/mol×K | 853.26 | Joback Calculated Property |
| Cp,gas | 724.80 | J/mol×K | 883.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl 2-methylbutyrate.
Sources
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