- InChI
- InChI=1S/C8H14O2/c1-8(7(9)10-2)5-3-4-6-8/h3-6H2,1-2H3
- InChI Key
- SUCGJXDLZCDFRV-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- COC(=O)C1(C)CCCC1
- Molecular Weight1
- 142.20
- CAS
- 4630-83-5
- Other Names
-
- Cyclopentanoic acid, 1-methyl, methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 8.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Inp | [925.00; 925.00] |
|
|
| Inp | 925.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 925.00 | NIST | |
| Tboil | 429.31 | K | Relay (1.0) Calculated Property |
| Tfus | 250.66 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [359.70; 432.70] | K | [2.70; 96.10] |
|
| Tboilr | 359.70 | K | 2.70 | NIST |
| Tboilr | 432.70 | K | 96.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.38; 430.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.94500e+01 | |||
| Coefficient B | 1.13264e+00 | |||
| Coefficient C | -9.76800e-04 | |||
| Coefficient D | 3.64400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 248.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 388.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 409.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 430.79 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 1-methyl-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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