- InChI
- InChI=1S/C11H16O/c1-4-9-5-6-10(12)7-11(9)8(2)3/h4,9,11H,1-2,5-7H2,3H3
- InChI Key
- GPJWYPULQMBLGX-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- C=CC1CCC(=O)CC1C(=C)C
- Molecular Weight1
- 164.24
- 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° | 103.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1274.00; 1274.00] |
|
|
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Tboil | 527.02 | K | Joback Calculated Property |
| Tc | 750.43 | K | Joback Calculated Property |
| Tfus | 267.61 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.60; 449.16] | J/mol×K | [527.02; 750.43] |
|
| Cp,gas | 348.60 | J/mol×K | 527.02 | Joback Calculated Property |
| Cp,gas | 367.85 | J/mol×K | 564.25 | Joback Calculated Property |
| Cp,gas | 386.09 | J/mol×K | 601.49 | Joback Calculated Property |
| Cp,gas | 403.33 | J/mol×K | 638.72 | Joback Calculated Property |
| Cp,gas | 419.59 | J/mol×K | 675.96 | Joback Calculated Property |
| Cp,gas | 434.86 | J/mol×K | 713.19 | Joback Calculated Property |
| Cp,gas | 449.16 | J/mol×K | 750.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Geijerone.
Sources
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