- InChI
- InChI=1S/C13H16O3/c1-15-11-6-8-12(9-7-11)16-13(14)10-4-2-3-5-10/h6-10H,2-5H2,1H3
- InChI Key
- ORMAVLLFHICVKM-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- COc1ccc(OC(=O)C2CCCC2)cc1
- Molecular Weight1
- 220.26
- 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).
- 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° | -141.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.791 | Crippen Calculated Property | |
| McVol | 172.720 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1741.00 | NIST | |
| Tboil | 642.49 | K | Joback Calculated Property |
| Tc | 872.23 | K | Joback Calculated Property |
| Tfus | 380.50 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.45; 546.01] | J/mol×K | [642.49; 872.23] | 
|
| Cp,gas | 458.45 | J/mol×K | 642.49 | Joback Calculated Property |
| Cp,gas | 475.92 | J/mol×K | 680.78 | Joback Calculated Property |
| Cp,gas | 492.20 | J/mol×K | 719.07 | Joback Calculated Property |
| Cp,gas | 507.33 | J/mol×K | 757.36 | Joback Calculated Property |
| Cp,gas | 521.33 | J/mol×K | 795.65 | Joback Calculated Property |
| Cp,gas | 534.21 | J/mol×K | 833.94 | Joback Calculated Property |
| Cp,gas | 546.01 | J/mol×K | 872.23 | Joback Calculated Property |
| η | [0.0001863; 0.0014553] | Pa×s | [380.50; 642.49] |
|
| η | 0.0014553 | Pa×s | 380.50 | Joback Calculated Property |
| η | 0.0008662 | Pa×s | 424.17 | Joback Calculated Property |
| η | 0.0005679 | Pa×s | 467.83 | Joback Calculated Property |
| η | 0.0004002 | Pa×s | 511.50 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 555.16 | Joback Calculated Property |
| η | 0.0002316 | Pa×s | 598.83 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 642.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 4-methoxyphenyl ester.
Sources
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