- InChI
- InChI=1S/C11H16O/c1-3-8-6-9(8)11-7(2)4-5-10(11)12/h8-9H,3-6H2,1-2H3
- InChI Key
- XXJJDRLPLQMPPO-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCC1CC1C1=C(C)CCC1=O
- Molecular Weight1
- 164.24
- 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).
- 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 | 0.4052 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 141.400 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| I | [1851.00; 1856.00] |
|
|
| I | 1851.00 | NIST | |
| I | 1856.00 | NIST | |
| Tboil | 511.48 | K | Relay (1.0) Calculated Property |
| Tc | 735.52 | K | Relay (1.0) Calculated Property |
| Tfus | 240.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.34; 447.32] | J/mol×K | [550.04; 772.71] |
|
| Cp,gas | 354.34 | J/mol×K | 550.04 | Joback Calculated Property |
| Cp,gas | 372.18 | J/mol×K | 587.15 | Joback Calculated Property |
| Cp,gas | 389.05 | J/mol×K | 624.26 | Joback Calculated Property |
| Cp,gas | 404.96 | J/mol×K | 661.38 | Joback Calculated Property |
| Cp,gas | 419.96 | J/mol×K | 698.49 | Joback Calculated Property |
| Cp,gas | 434.07 | J/mol×K | 735.60 | Joback Calculated Property |
| Cp,gas | 447.32 | J/mol×K | 772.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-ethylcyclopropyl)-3-methyl-2-cyclopenten-1-one.
Sources
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