- InChI
- InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
- InChI Key
- YDFBIBUYOUFJMR-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CCC1C(=O)CCC1=O
- Molecular Weight1
- 126.15
- CAS
- 823-36-9
- Other Names
-
- 2-Ethyl-1,3-cyclopentanedione
- 2-ethylcyclopentane-1,3-dione
- 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° | -200.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.93 | kJ/mol | Joback Calculated Property |
| IE | 9.40 ± 0.10 | eV | NIST |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 101.770 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Tboil | 510.48 | K | Joback Calculated Property |
| Tc | 743.22 | K | Joback Calculated Property |
| Tfus | 315.99 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.44; 308.72] | J/mol×K | [510.48; 743.22] | 
|
| Cp,gas | 231.44 | J/mol×K | 510.48 | Joback Calculated Property |
| Cp,gas | 245.85 | J/mol×K | 549.27 | Joback Calculated Property |
| Cp,gas | 259.69 | J/mol×K | 588.06 | Joback Calculated Property |
| Cp,gas | 272.95 | J/mol×K | 626.85 | Joback Calculated Property |
| Cp,gas | 285.56 | J/mol×K | 665.64 | Joback Calculated Property |
| Cp,gas | 297.50 | J/mol×K | 704.43 | Joback Calculated Property |
| Cp,gas | 308.72 | J/mol×K | 743.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentanedione, 2-ethyl-.
Sources
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