- InChI
- InChI=1S/C15H26O3/c1-7-12(4)14(16)18-10-13(11(2)3)8-9-15(5,6)17/h8-9,12-13,17H,2,7,10H2,1,3-6H3/b9-8+
- InChI Key
- PDMUAEHZDPIZMR-CMDGGOBGSA-N
- Formula
- C15H26O3
- SMILES
-
C=C(C)C(C=CC(C)(C)O)COC(=O)C(C
)CC - Molecular Weight1
- 254.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -137.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.095 | Crippen Calculated Property | |
| McVol | 226.920 | ml/mol | McGowan Calculated Property |
| Pc | 1756.54 | kPa | Joback Calculated Property |
| Inp | 1577.00 | NIST | |
| I | [2172.00; 2172.00] |
|
|
| I | 2172.00 | NIST | |
| I | 2172.00 | NIST | |
| Tboil | 707.68 | K | Joback Calculated Property |
| Tc | 893.36 | K | Joback Calculated Property |
| Tfus | 343.41 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.76; 727.54] | J/mol×K | [707.68; 893.36] |
|
| Cp,gas | 648.76 | J/mol×K | 707.68 | Joback Calculated Property |
| Cp,gas | 663.77 | J/mol×K | 738.63 | Joback Calculated Property |
| Cp,gas | 677.97 | J/mol×K | 769.57 | Joback Calculated Property |
| Cp,gas | 691.41 | J/mol×K | 800.52 | Joback Calculated Property |
| Cp,gas | 704.11 | J/mol×K | 831.47 | Joback Calculated Property |
| Cp,gas | 716.14 | J/mol×K | 862.41 | Joback Calculated Property |
| Cp,gas | 727.54 | J/mol×K | 893.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-5-Hydroxy-2-isopropenyl-5-methylhex-3-enyl 2-methylbutyrate.
Sources
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