- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-9-14-18-16(17)13-12-15-10-7-8-11-15/h15H,2-14H2,1H3
- InChI Key
- AHSRJCSVGJRRDQ-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 254.41
- 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° | -113.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.861 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Inp | 1848.30 | NIST | |
| Tboil | 657.05 | K | Joback Calculated Property |
| Tc | 842.14 | K | Joback Calculated Property |
| Tfus | 353.14 | K | Joback Calculated Property |
| Vc | 0.896 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.99; 771.81] | J/mol×K | [657.05; 842.14] | 
|
| Cp,gas | 667.99 | J/mol×K | 657.05 | Joback Calculated Property |
| Cp,gas | 687.70 | J/mol×K | 687.90 | Joback Calculated Property |
| Cp,gas | 706.41 | J/mol×K | 718.75 | Joback Calculated Property |
| Cp,gas | 724.15 | J/mol×K | 749.60 | Joback Calculated Property |
| Cp,gas | 740.94 | J/mol×K | 780.45 | Joback Calculated Property |
| Cp,gas | 756.82 | J/mol×K | 811.30 | Joback Calculated Property |
| Cp,gas | 771.81 | J/mol×K | 842.14 | Joback Calculated Property |
| η | [0.0001734; 0.0027008] | Pa×s | [353.14; 657.05] |
|
| η | 0.0027008 | Pa×s | 353.14 | Joback Calculated Property |
| η | 0.0012827 | Pa×s | 403.79 | Joback Calculated Property |
| η | 0.0007192 | Pa×s | 454.44 | Joback Calculated Property |
| η | 0.0004528 | Pa×s | 505.09 | Joback Calculated Property |
| η | 0.0003102 | Pa×s | 555.75 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 606.40 | Joback Calculated Property |
| η | 0.0001734 | Pa×s | 657.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, octyl ester.
Sources
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