- InChI
- InChI=1S/C13H24O2/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
- InChI Key
- VXUPUVJRNMABKJ-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CC(C)CCOC(=O)CCC1CCCC1
- Molecular Weight1
- 212.33
- 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° | -141.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1535.00] |
|
|
| Inp | 1535.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Tboil | 587.97 | K | Joback Calculated Property |
| Tc | 782.26 | K | Joback Calculated Property |
| Tfus | 304.33 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.00; 605.21] | J/mol×K | [587.97; 782.26] |
|
| Cp,gas | 505.00 | J/mol×K | 587.97 | Joback Calculated Property |
| Cp,gas | 524.05 | J/mol×K | 620.35 | Joback Calculated Property |
| Cp,gas | 542.13 | J/mol×K | 652.73 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 685.12 | Joback Calculated Property |
| Cp,gas | 575.47 | J/mol×K | 717.50 | Joback Calculated Property |
| Cp,gas | 590.78 | J/mol×K | 749.88 | Joback Calculated Property |
| Cp,gas | 605.21 | J/mol×K | 782.26 | Joback Calculated Property |
| η | [0.0002207; 0.0041530] | Pa×s | [304.33; 587.97] |
|
| η | 0.0041530 | Pa×s | 304.33 | Joback Calculated Property |
| η | 0.0018328 | Pa×s | 351.60 | Joback Calculated Property |
| η | 0.0009819 | Pa×s | 398.88 | Joback Calculated Property |
| η | 0.0006004 | Pa×s | 446.15 | Joback Calculated Property |
| η | 0.0004035 | Pa×s | 493.42 | Joback Calculated Property |
| η | 0.0002906 | Pa×s | 540.70 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 587.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 3-methylbutyl ester.
Sources
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