- InChI
- InChI=1S/C15H20O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-10H,3,8H2,1-2,4-5H3
- InChI Key
- DISRRWDKWSKYMA-UHFFFAOYSA-N
- Formula
- C15H20O2
- SMILES
- C=C(C)c1ccc(C)cc1OC(=O)CC(C)C
- Molecular Weight1
- 232.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6561 | Relay (... Calculated Property | |
| ΔfG° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.26 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.07 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -4.08 | Relay (... Calculated Property | |
| logPoct/wat | 3.980 | Crippen Calculated Property | |
| McVol | 201.590 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1548.00; 1548.00] |
|
|
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| I | [2006.00; 2006.00] |
|
|
| I | 2006.00 | NIST | |
| I | 2006.00 | NIST | |
| I | 2006.00 | NIST | |
| Tboil | 538.63 | K | Relay (... Calculated Property |
| Tc | 767.78 | K | Relay (... Calculated Property |
| Tfus | 283.40 | K | Relay (... Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.30; 608.23] | J/mol×K | [651.65; 861.36] |
|
| Cp,gas | 523.30 | J/mol×K | 651.65 | Joback Calculated Property |
| Cp,gas | 539.74 | J/mol×K | 686.60 | Joback Calculated Property |
| Cp,gas | 555.22 | J/mol×K | 721.55 | Joback Calculated Property |
| Cp,gas | 569.79 | J/mol×K | 756.51 | Joback Calculated Property |
| Cp,gas | 583.47 | J/mol×K | 791.46 | Joback Calculated Property |
| Cp,gas | 596.27 | J/mol×K | 826.41 | Joback Calculated Property |
| Cp,gas | 608.23 | J/mol×K | 861.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8,9-Dehydrothymyl isovalerate.
Sources
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