- 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).
- 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° | -152.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 2.705 | Crippen Calculated Property | |
| McVol | 212.830 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | 1539.00 | NIST | |
| I | 2229.00 | NIST | |
| Tboil | 679.99 | K | Joback Calculated Property |
| Tc | 860.92 | K | Joback Calculated Property |
| Tfus | 304.08 | K | Joback Calculated Property |
| Vc | 0.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.23; 668.16] | J/mol×K | [679.99; 860.92] | 
|
| Cp,gas | 591.23 | J/mol×K | 679.99 | Joback Calculated Property |
| Cp,gas | 605.81 | J/mol×K | 710.14 | Joback Calculated Property |
| Cp,gas | 619.66 | J/mol×K | 740.30 | Joback Calculated Property |
| Cp,gas | 632.79 | J/mol×K | 770.45 | Joback Calculated Property |
| Cp,gas | 645.24 | J/mol×K | 800.61 | Joback Calculated Property |
| Cp,gas | 657.02 | J/mol×K | 830.76 | Joback Calculated Property |
| Cp,gas | 668.16 | J/mol×K | 860.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl isobutyrate.
Sources
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