- InChI
- InChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h5-6H,1,4,7H2,2-3H3
- InChI Key
- VOZLDFIRYMGFSU-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- C=CC(=C)C(=O)CC=C(C)C
- Molecular Weight1
- 150.22
- 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.
- 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° | 143.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 140.430 | ml/mol | McGowan Calculated Property |
| Pc | 2579.34 | kPa | Joback Calculated Property |
| Inp | [1114.00; 1114.00] |
|
|
| Inp | 1114.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Tboil | 479.35 | K | Joback Calculated Property |
| Tc | 674.39 | K | Joback Calculated Property |
| Tfus | 215.87 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.99; 359.86] | J/mol×K | [479.35; 674.39] |
|
| Cp,gas | 289.99 | J/mol×K | 479.35 | Joback Calculated Property |
| Cp,gas | 303.37 | J/mol×K | 511.86 | Joback Calculated Property |
| Cp,gas | 316.00 | J/mol×K | 544.36 | Joback Calculated Property |
| Cp,gas | 327.93 | J/mol×K | 576.87 | Joback Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 609.38 | Joback Calculated Property |
| Cp,gas | 349.82 | J/mol×K | 641.88 | Joback Calculated Property |
| Cp,gas | 359.86 | J/mol×K | 674.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isomyrcenone.
Sources
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