- InChI
- InChI=1S/C9H16O2/c1-11-9(10)7-6-8-4-2-3-5-8/h8H,2-7H2,1H3
- InChI Key
- FGPDDJMBTHHHRK-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- COC(=O)CCC1CCCC1
- Molecular Weight1
- 156.22
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4411 | Relay (... Calculated Property | |
| ΔfG° | -172.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.09 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.62 | eV | Relay (... Calculated Property |
| log10WS | -2.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1180.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Tboil | 474.81 | K | Relay (... Calculated Property |
| Tc | 681.54 | K | Relay (... Calculated Property |
| Tfus | 206.42 | K | Relay (... Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.29; 393.25] | J/mol×K | [496.89; 697.79] |
|
| Cp,gas | 308.29 | J/mol×K | 496.89 | Joback Calculated Property |
| Cp,gas | 324.35 | J/mol×K | 530.37 | Joback Calculated Property |
| Cp,gas | 339.64 | J/mol×K | 563.86 | Joback Calculated Property |
| Cp,gas | 354.15 | J/mol×K | 597.34 | Joback Calculated Property |
| Cp,gas | 367.91 | J/mol×K | 630.82 | Joback Calculated Property |
| Cp,gas | 380.94 | J/mol×K | 664.31 | Joback Calculated Property |
| Cp,gas | 393.25 | J/mol×K | 697.79 | Joback Calculated Property |
| η | [0.0003183; 0.0033301] | Pa×s | [274.25; 496.89] |
|
| η | 0.0033301 | Pa×s | 274.25 | Joback Calculated Property |
| η | 0.0017834 | Pa×s | 311.36 | Joback Calculated Property |
| η | 0.0010909 | Pa×s | 348.46 | Joback Calculated Property |
| η | 0.0007336 | Pa×s | 385.57 | Joback Calculated Property |
| η | 0.0005289 | Pa×s | 422.68 | Joback Calculated Property |
| η | 0.0004019 | Pa×s | 459.78 | Joback Calculated Property |
| η | 0.0003183 | Pa×s | 496.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, methyl ester.
Sources
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