- InChI
- InChI=1S/C15H28O2/c1-2-3-4-5-8-13-17-15(16)12-11-14-9-6-7-10-14/h14H,2-13H2,1H3
- InChI Key
- OBXCQEYVYLJGJK-UHFFFAOYSA-N
- Formula
- C15H28O2
- SMILES
- CCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 240.38
- 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).
- 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 | 0.7043 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 218.790 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Tboil | 572.63 | K | Relay (1.0) Calculated Property |
| Tc | 766.21 | K | Relay (1.0) Calculated Property |
| Tfus | 229.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.21; 714.54] | J/mol×K | [634.17; 820.80] | 
|
| Cp,gas | 612.21 | J/mol×K | 634.17 | Joback Calculated Property |
| Cp,gas | 631.62 | J/mol×K | 665.28 | Joback Calculated Property |
| Cp,gas | 650.05 | J/mol×K | 696.38 | Joback Calculated Property |
| Cp,gas | 667.54 | J/mol×K | 727.49 | Joback Calculated Property |
| Cp,gas | 684.09 | J/mol×K | 758.59 | Joback Calculated Property |
| Cp,gas | 699.75 | J/mol×K | 789.70 | Joback Calculated Property |
| Cp,gas | 714.54 | J/mol×K | 820.80 | Joback Calculated Property |
| η | [0.0001934; 0.0028751] | Pa×s | [341.87; 634.17] |
|
| η | 0.0028751 | Pa×s | 341.87 | Joback Calculated Property |
| η | 0.0013850 | Pa×s | 390.59 | Joback Calculated Property |
| η | 0.0007845 | Pa×s | 439.30 | Joback Calculated Property |
| η | 0.0004977 | Pa×s | 488.02 | Joback Calculated Property |
| η | 0.0003430 | Pa×s | 536.74 | Joback Calculated Property |
| η | 0.0002515 | Pa×s | 585.45 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 634.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, heptyl ester.
Sources
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