- InChI
- InChI=1S/C9H14O2/c1-2-3-4-7-5-8(10)6-9(7)11/h7H,2-6H2,1H3
- InChI Key
- UDVQUWZQMOBAGE-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- CCCCC1CC(=O)CC1=O
- Molecular Weight1
- 154.21
- CAS
- 54244-72-3
- Other Names
-
- 4-Butyl-1,3-cyclopentanedione
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -183.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | 1129.00 | NIST | |
| Tboil | 556.24 | K | Joback Calculated Property |
| Tc | 780.50 | K | Joback Calculated Property |
| Tfus | 338.53 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.68; 410.30] | J/mol×K | [556.24; 780.50] | 
|
| Cp,gas | 322.68 | J/mol×K | 556.24 | Joback Calculated Property |
| Cp,gas | 339.24 | J/mol×K | 593.62 | Joback Calculated Property |
| Cp,gas | 355.05 | J/mol×K | 630.99 | Joback Calculated Property |
| Cp,gas | 370.10 | J/mol×K | 668.37 | Joback Calculated Property |
| Cp,gas | 384.34 | J/mol×K | 705.75 | Joback Calculated Property |
| Cp,gas | 397.75 | J/mol×K | 743.12 | Joback Calculated Property |
| Cp,gas | 410.30 | J/mol×K | 780.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentanedione, 4-butyl-.
Sources
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