- InChI
- InChI=1S/C9H14O/c1-6-5-9(3,4)8(10)7(6)2/h5H2,1-4H3
- InChI Key
- FYDYTXLWBFWFBW-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- CC1=C(C)C(=O)C(C)(C)C1
- Molecular Weight1
- 138.21
- 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° | -55.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Inp | [1171.00; 1171.00] |
|
|
| Inp | 1171.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Tboil | 497.78 | K | Joback Calculated Property |
| Tc | 720.53 | K | Joback Calculated Property |
| Tfus | 320.01 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.32; 354.96] | J/mol×K | [497.78; 720.53] |
|
| Cp,gas | 276.32 | J/mol×K | 497.78 | Joback Calculated Property |
| Cp,gas | 291.17 | J/mol×K | 534.91 | Joback Calculated Property |
| Cp,gas | 305.21 | J/mol×K | 572.03 | Joback Calculated Property |
| Cp,gas | 318.53 | J/mol×K | 609.16 | Joback Calculated Property |
| Cp,gas | 331.20 | J/mol×K | 646.28 | Joback Calculated Property |
| Cp,gas | 343.31 | J/mol×K | 683.41 | Joback Calculated Property |
| Cp,gas | 354.96 | J/mol×K | 720.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,5-Tetramethyl-4-methylene-2-cyclopenten-1-one.
Sources
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