- InChI
- InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3
- InChI Key
- PZBBESSUKAHBHD-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- COC(=O)C1CCCC1=O
- Molecular Weight1
- 142.15
- CAS
- 10472-24-9
- Other Names
-
- Methyl 2-oxocyclopentanecarboxylate
- Methylcyclopentanone-2-carboxylate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4196 | Relay (... Calculated Property | |
| ΔfG° | -311.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.31 | kJ/mol | Relay (... Calculated Property |
| IE | 9.63 | eV | Relay (... Calculated Property |
| log10WS | -0.38 | Relay (... Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 484.93 | K | Relay (... Calculated Property |
| Tc | 696.88 | K | Relay (... Calculated Property |
| Tfus | 313.55 | K | Relay (... Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.16; 319.24] | J/mol×K | [518.95; 742.25] | 
|
| Cp,gas | 247.16 | J/mol×K | 518.95 | Joback Calculated Property |
| Cp,gas | 260.76 | J/mol×K | 556.17 | Joback Calculated Property |
| Cp,gas | 273.75 | J/mol×K | 593.38 | Joback Calculated Property |
| Cp,gas | 286.12 | J/mol×K | 630.60 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 667.82 | Joback Calculated Property |
| Cp,gas | 308.88 | J/mol×K | 705.03 | Joback Calculated Property |
| Cp,gas | 319.24 | J/mol×K | 742.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 2-oxo-, methyl ester.
Sources
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