- InChI
- InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5,7-8,10-11H,1,6,9H2,2-4H3
- InChI Key
- PLUVLWUSXQCTNH-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- C=CCc1ccc(OC(=O)CC(C)C)c(OC)c1
- Molecular Weight1
- 248.32
- CAS
- 61114-24-7
- Other Names
-
- Eugenyl isovalerate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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° | -84.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.375 | Crippen Calculated Property | |
| McVol | 207.460 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | [1864.10; 1864.10] |
|
|
| Inp | 1864.10 | NIST | |
| Inp | 1864.10 | NIST | |
| Tboil | 674.19 | K | Joback Calculated Property |
| Tc | 878.75 | K | Joback Calculated Property |
| Tfus | 387.90 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.80; 632.69] | J/mol×K | [674.19; 878.75] |
|
| Cp,gas | 550.80 | J/mol×K | 674.19 | Joback Calculated Property |
| Cp,gas | 566.67 | J/mol×K | 708.28 | Joback Calculated Property |
| Cp,gas | 581.63 | J/mol×K | 742.38 | Joback Calculated Property |
| Cp,gas | 595.71 | J/mol×K | 776.47 | Joback Calculated Property |
| Cp,gas | 608.90 | J/mol×K | 810.57 | Joback Calculated Property |
| Cp,gas | 621.22 | J/mol×K | 844.66 | Joback Calculated Property |
| Cp,gas | 632.69 | J/mol×K | 878.75 | Joback Calculated Property |
| η | [0.0001022; 0.0010372] | Pa×s | [387.90; 674.19] |
|
| η | 0.0010372 | Pa×s | 387.90 | Joback Calculated Property |
| η | 0.0005705 | Pa×s | 435.62 | Joback Calculated Property |
| η | 0.0003531 | Pa×s | 483.33 | Joback Calculated Property |
| η | 0.0002382 | Pa×s | 531.04 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 578.76 | Joback Calculated Property |
| η | 0.0001298 | Pa×s | 626.47 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 674.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-allyl-2-methoxyphenyl isovalerate.
Sources
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