- InChI
- InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3
- InChI Key
- JJQCWPWUHZFKBN-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
-
C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C
)C)=C1 - Molecular Weight1
- 218.33
- 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.
- 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 | 0.3855 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.070 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | [1483.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Tboil | 528.15 | K | Relay (1.0) Calculated Property |
| Tc | 734.84 | K | Relay (1.0) Calculated Property |
| Tfus | 370.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.62; 632.82] | J/mol×K | [635.62; 864.44] |
|
| Cp,gas | 534.62 | J/mol×K | 635.62 | Joback Calculated Property |
| Cp,gas | 554.02 | J/mol×K | 673.76 | Joback Calculated Property |
| Cp,gas | 572.13 | J/mol×K | 711.89 | Joback Calculated Property |
| Cp,gas | 589.01 | J/mol×K | 750.03 | Joback Calculated Property |
| Cp,gas | 604.72 | J/mol×K | 788.17 | Joback Calculated Property |
| Cp,gas | 619.30 | J/mol×K | 826.30 | Joback Calculated Property |
| Cp,gas | 632.82 | J/mol×K | 864.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-di-t-Butyl-4-methylene-2,5-cyclohexadiene-1-one.
Sources
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