- InChI
- InChI=1S/C13H24O2/c1-10(2)11(3)15-13(14)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
- InChI Key
- ZRWUBMFLUXDWDE-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CC(C)C(C)OC(=O)CCC1CCCC1
- Molecular Weight1
- 212.33
- 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 | 0.5564 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | 1485.00 | NIST | |
| Tboil | 523.19 | K | Relay (1.0) Calculated Property |
| Tc | 720.92 | K | Relay (1.0) Calculated Property |
| Tfus | 224.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.32; 607.42] | J/mol×K | [587.53; 785.63] | 
|
| Cp,gas | 505.32 | J/mol×K | 587.53 | Joback Calculated Property |
| Cp,gas | 524.80 | J/mol×K | 620.55 | Joback Calculated Property |
| Cp,gas | 543.26 | J/mol×K | 653.56 | Joback Calculated Property |
| Cp,gas | 560.73 | J/mol×K | 686.58 | Joback Calculated Property |
| Cp,gas | 577.22 | J/mol×K | 719.60 | Joback Calculated Property |
| Cp,gas | 592.78 | J/mol×K | 752.61 | Joback Calculated Property |
| Cp,gas | 607.42 | J/mol×K | 785.63 | Joback Calculated Property |
| η | [0.0002063; 0.0056744] | Pa×s | [289.33; 587.53] |
|
| η | 0.0056744 | Pa×s | 289.33 | Joback Calculated Property |
| η | 0.0021786 | Pa×s | 339.03 | Joback Calculated Property |
| η | 0.0010684 | Pa×s | 388.73 | Joback Calculated Property |
| η | 0.0006158 | Pa×s | 438.43 | Joback Calculated Property |
| η | 0.0003971 | Pa×s | 488.13 | Joback Calculated Property |
| η | 0.0002777 | Pa×s | 537.83 | Joback Calculated Property |
| η | 0.0002063 | Pa×s | 587.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 3-methylbut-2-yl ester.
Sources
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