- InChI
- InChI=1S/C15H20O3/c1-17-13-7-9-14(10-8-13)18-15(16)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3
- InChI Key
- MZZLAUVXFFQDCE-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- COc1ccc(OC(=O)CCC2CCCC2)cc1
- Molecular Weight1
- 248.32
- 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° | -124.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.07 | Crippen Calculated Property | |
| logPoct/wat | 3.571 | Crippen Calculated Property | |
| McVol | 200.900 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1964.00; 1964.00] |
|
|
| Inp | 1964.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Tboil | 688.25 | K | Joback Calculated Property |
| Tc | 909.68 | K | Joback Calculated Property |
| Tfus | 403.04 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.36; 655.41] | J/mol×K | [688.25; 909.68] |
|
| Cp,gas | 564.36 | J/mol×K | 688.25 | Joback Calculated Property |
| Cp,gas | 582.51 | J/mol×K | 725.15 | Joback Calculated Property |
| Cp,gas | 599.43 | J/mol×K | 762.06 | Joback Calculated Property |
| Cp,gas | 615.16 | J/mol×K | 798.96 | Joback Calculated Property |
| Cp,gas | 629.71 | J/mol×K | 835.87 | Joback Calculated Property |
| Cp,gas | 643.12 | J/mol×K | 872.77 | Joback Calculated Property |
| Cp,gas | 655.41 | J/mol×K | 909.68 | Joback Calculated Property |
| η | [0.0001521; 0.0013264] | Pa×s | [403.04; 688.25] |
|
| η | 0.0013264 | Pa×s | 403.04 | Joback Calculated Property |
| η | 0.0007642 | Pa×s | 450.58 | Joback Calculated Property |
| η | 0.0004892 | Pa×s | 498.11 | Joback Calculated Property |
| η | 0.0003385 | Pa×s | 545.64 | Joback Calculated Property |
| η | 0.0002484 | Pa×s | 593.18 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 640.72 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 688.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-methoxyphenyl ester.
Sources
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