- InChI
- InChI=1S/C7H8O/c1-5-3-7(8)4-6(5)2/h1-4H2
- InChI Key
- QLTBRYOQIIJWSI-UHFFFAOYSA-N
- Formula
- C7H8O
- SMILES
- C=C1CC(=O)CC1=C
- Molecular Weight1
- 108.14
- CAS
- 27646-73-7
- 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 | 0.3519 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 1.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.462 | Crippen Calculated Property | |
| McVol | 91.600 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| I | 2384.00 | NIST | |
| Tboil | 433.44 | K | Relay (1.0) Calculated Property |
| Tc | 658.93 | K | Relay (1.0) Calculated Property |
| Tfus | 383.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.300 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.11; 234.54] | J/mol×K | [445.65; 664.96] | 
|
| Cp,gas | 175.11 | J/mol×K | 445.65 | Joback Calculated Property |
| Cp,gas | 186.09 | J/mol×K | 482.20 | Joback Calculated Property |
| Cp,gas | 196.65 | J/mol×K | 518.75 | Joback Calculated Property |
| Cp,gas | 206.79 | J/mol×K | 555.30 | Joback Calculated Property |
| Cp,gas | 216.49 | J/mol×K | 591.85 | Joback Calculated Property |
| Cp,gas | 225.74 | J/mol×K | 628.41 | Joback Calculated Property |
| Cp,gas | 234.54 | J/mol×K | 664.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanone, 3,4-bis(methylene)-.
Sources
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