- InChI
- InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3
- InChI Key
- NZIACPHCVAFJBR-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- Cc1ccc(C(C)C)c(OC(=O)CC(C)C)c1
- Molecular Weight1
- 234.33
- CAS
- 69844-33-3
- Other Names
-
- Thymyl 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.
- 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° | -70.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 4.070 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1574.00] |
|
|
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1551.00 | NIST | |
| I | [1975.00; 1975.00] |
|
|
| I | 1975.00 | NIST | |
| I | 1975.00 | NIST | |
| I | 1975.00 | NIST | |
| Tboil | 654.65 | K | Joback Calculated Property |
| Tc | 861.20 | K | Joback Calculated Property |
| Tfus | 352.43 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.69; 635.32] | J/mol×K | [654.65; 861.20] |
|
| Cp,gas | 546.69 | J/mol×K | 654.65 | Joback Calculated Property |
| Cp,gas | 563.79 | J/mol×K | 689.07 | Joback Calculated Property |
| Cp,gas | 579.94 | J/mol×K | 723.50 | Joback Calculated Property |
| Cp,gas | 595.15 | J/mol×K | 757.92 | Joback Calculated Property |
| Cp,gas | 609.43 | J/mol×K | 792.35 | Joback Calculated Property |
| Cp,gas | 622.82 | J/mol×K | 826.77 | Joback Calculated Property |
| Cp,gas | 635.32 | J/mol×K | 861.20 | Joback Calculated Property |
| η | [0.0001154; 0.0018013] | Pa×s | [352.43; 654.65] |
|
| η | 0.0018013 | Pa×s | 352.43 | Joback Calculated Property |
| η | 0.0008557 | Pa×s | 402.80 | Joback Calculated Property |
| η | 0.0004797 | Pa×s | 453.17 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 503.54 | Joback Calculated Property |
| η | 0.0002067 | Pa×s | 553.91 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 604.28 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 654.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-2-(isopropyl)phenyl isovalerate.
Sources
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