- InChI
- InChI=1S/C8H12O/c9-8-6-4-2-1-3-5-7-8/h4,6H,1-3,5,7H2/b6-4-
- InChI Key
- NSHQAIKRVDXIMX-XQRVVYSFSA-N
- Formula
- C8H12O
- SMILES
- O=C1C=CCCCCC1
- Molecular Weight1
- 124.18
- CAS
- 1728-25-2
- Other Names
-
- 2-Cyclooctenone
- 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).
- 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° | -68.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.02 | kJ/mol | Joback Calculated Property |
| IE | 9.18 | eV | NIST |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 2.076 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 3777.68 | kPa | Joback Calculated Property |
| Tboil | 482.18 | K | Joback Calculated Property |
| Tc | 723.46 | K | Joback Calculated Property |
| Tfus | 253.48 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.22; 320.46] | J/mol×K | [482.18; 723.46] | 
|
| Cp,gas | 229.22 | J/mol×K | 482.18 | Joback Calculated Property |
| Cp,gas | 246.69 | J/mol×K | 522.39 | Joback Calculated Property |
| Cp,gas | 263.27 | J/mol×K | 562.61 | Joback Calculated Property |
| Cp,gas | 278.96 | J/mol×K | 602.82 | Joback Calculated Property |
| Cp,gas | 293.73 | J/mol×K | 643.03 | Joback Calculated Property |
| Cp,gas | 307.57 | J/mol×K | 683.24 | Joback Calculated Property |
| Cp,gas | 320.46 | J/mol×K | 723.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cycloocten-1-one.
Sources
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