- InChI
- InChI=1S/C9H14O2/c1-2-3-7-4-5-8(10)6-9(7)11/h7H,2-6H2,1H3
- InChI Key
- WWLVJBISOZBFCG-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- CCCC1CCC(=O)CC1=O
- Molecular Weight1
- 154.21
- CAS
- 18456-81-0
- 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).
- 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 | 0.4496 | Relay (... Calculated Property | |
| ΔfG° | -195.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.24 | eV | Relay (... Calculated Property |
| log10WS | -1.60 | Relay (... Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Tboil | 511.57 | K | Relay (... Calculated Property |
| Tc | 716.48 | K | Relay (... Calculated Property |
| Tfus | 334.99 | K | Relay (... Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.42; 415.83] | J/mol×K | [560.51; 792.97] | 
|
| Cp,gas | 323.42 | J/mol×K | 560.51 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 599.25 | Joback Calculated Property |
| Cp,gas | 357.81 | J/mol×K | 638.00 | Joback Calculated Property |
| Cp,gas | 373.72 | J/mol×K | 676.74 | Joback Calculated Property |
| Cp,gas | 388.73 | J/mol×K | 715.48 | Joback Calculated Property |
| Cp,gas | 402.78 | J/mol×K | 754.23 | Joback Calculated Property |
| Cp,gas | 415.83 | J/mol×K | 792.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclohexanedione, 4-propyl-.
Sources
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