- InChI
- InChI=1S/C14H24O3/c1-9(2)12(7-13(15)10(3)4)8-17-14(16)11(5)6/h11-13,15H,1,3,7-8H2,2,4-6H3
- InChI Key
- JRPNUBRUVFUHGJ-UHFFFAOYSA-N
- Formula
- C14H24O3
- SMILES
-
C=C(C)C(O)CC(COC(=O)C(C)C)C(=C
)C - Molecular Weight1
- 240.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -656.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.63 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.705 | Crippen Calculated Property | |
| McVol | 212.830 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | 1539.00 | NIST | |
| I | 2229.00 | NIST | |
| Tboil | 540.76 | K | Relay (1.0) Calculated Property |
| Tc | 728.39 | K | Relay (1.0) Calculated Property |
| Tfus | 281.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.45; 663.10] | J/mol×K | [662.12; 840.68] | 
|
| Cp,gas | 585.45 | J/mol×K | 662.12 | Joback Calculated Property |
| Cp,gas | 600.23 | J/mol×K | 691.88 | Joback Calculated Property |
| Cp,gas | 614.25 | J/mol×K | 721.64 | Joback Calculated Property |
| Cp,gas | 627.52 | J/mol×K | 751.40 | Joback Calculated Property |
| Cp,gas | 640.07 | J/mol×K | 781.16 | Joback Calculated Property |
| Cp,gas | 651.92 | J/mol×K | 810.92 | Joback Calculated Property |
| Cp,gas | 663.10 | J/mol×K | 840.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl isobutyrate.
Sources
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