- InChI
- InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
- InChI Key
- RDSNBKRWKBMPOP-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- O=C1CCC(C(=O)O)C1
- Molecular Weight1
- 128.13
- CAS
- 98-78-2
- 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 | 0.6261 | Relay (... Calculated Property | |
| ΔfG° | -352.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.06 | kJ/mol | Relay (... Calculated Property |
| IE | 9.96 | eV | Relay (... Calculated Property |
| log10WS | 0.27 | Relay (... Calculated Property | |
| logPoct/wat | 0.440 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 4931.51 | kPa | Joback Calculated Property |
| Tboil | 521.31 | K | Relay (... Calculated Property |
| Tc | 762.77 | K | Relay (... Calculated Property |
| Tfus | 371.22 | K | Relay (... Calculated Property |
| Vc | 0.317 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.82; 283.15] | J/mol×K | [565.83; 778.39] | 
|
| Cp,gas | 227.82 | J/mol×K | 565.83 | Joback Calculated Property |
| Cp,gas | 238.44 | J/mol×K | 601.26 | Joback Calculated Property |
| Cp,gas | 248.50 | J/mol×K | 636.68 | Joback Calculated Property |
| Cp,gas | 258.01 | J/mol×K | 672.11 | Joback Calculated Property |
| Cp,gas | 266.95 | J/mol×K | 707.53 | Joback Calculated Property |
| Cp,gas | 275.34 | J/mol×K | 742.96 | Joback Calculated Property |
| Cp,gas | 283.15 | J/mol×K | 778.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 3-oxo-.
Sources
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