- InChI
- InChI=1S/C15H18O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-9H,2H2,1,3-5H3/b12-6-
- InChI Key
- MHVVYWCDJGNGIX-SDQBBNPISA-N
- Formula
- C15H18O2
- SMILES
- C=C(C)c1ccc(C)cc1OC(=O)C(C)=CC
- Molecular Weight1
- 230.30
- 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 | 0.6179 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.900 | Crippen Calculated Property | |
| McVol | 197.290 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [1580.00; 1580.00] |
|
|
| Inp | 1580.00 | NIST | |
| Inp | 1580.00 | NIST | |
| I | [2117.00; 2117.00] |
|
|
| I | 2117.00 | NIST | |
| I | 2117.00 | NIST | |
| Tboil | 564.55 | K | Relay (1.0) Calculated Property |
| Tc | 783.06 | K | Relay (1.0) Calculated Property |
| Tfus | 292.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.81; 582.10] | J/mol×K | [656.13; 873.48] |
|
| Cp,gas | 500.81 | J/mol×K | 656.13 | Joback Calculated Property |
| Cp,gas | 516.61 | J/mol×K | 692.35 | Joback Calculated Property |
| Cp,gas | 531.45 | J/mol×K | 728.58 | Joback Calculated Property |
| Cp,gas | 545.38 | J/mol×K | 764.80 | Joback Calculated Property |
| Cp,gas | 558.44 | J/mol×K | 801.03 | Joback Calculated Property |
| Cp,gas | 570.66 | J/mol×K | 837.25 | Joback Calculated Property |
| Cp,gas | 582.10 | J/mol×K | 873.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8,9-Dehydrothymyl angelate.
Sources
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