- InChI
- InChI=1S/C16H28O2/c1-3-4-5-6-9-14(2)18-16(17)13-12-15-10-7-8-11-15/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3/b9-6+
- InChI Key
- RVRMKAKPHWJDJO-RMKNXTFCSA-N
- Formula
- C16H28O2
- SMILES
- CCCCC=CC(C)OC(=O)CCC1CCCC1
- Molecular Weight1
- 252.39
- 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° | -35.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| McVol | 228.580 | ml/mol | McGowan Calculated Property |
| Pc | 1641.76 | kPa | Joback Calculated Property |
| Inp | [1742.50; 1742.50] |
|
|
| Inp | 1742.50 | NIST | |
| Inp | 1742.50 | NIST | |
| Tboil | 660.77 | K | Joback Calculated Property |
| Tc | 855.42 | K | Joback Calculated Property |
| Tfus | 333.06 | K | Joback Calculated Property |
| Vc | 0.871 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.22; 750.00] | J/mol×K | [660.77; 855.42] |
|
| Cp,gas | 647.22 | J/mol×K | 660.77 | Joback Calculated Property |
| Cp,gas | 666.91 | J/mol×K | 693.21 | Joback Calculated Property |
| Cp,gas | 685.51 | J/mol×K | 725.65 | Joback Calculated Property |
| Cp,gas | 703.09 | J/mol×K | 758.09 | Joback Calculated Property |
| Cp,gas | 719.66 | J/mol×K | 790.53 | Joback Calculated Property |
| Cp,gas | 735.28 | J/mol×K | 822.98 | Joback Calculated Property |
| Cp,gas | 750.00 | J/mol×K | 855.42 | Joback Calculated Property |
| η | [0.0001385; 0.0032081] | Pa×s | [333.06; 660.77] |
|
| η | 0.0032081 | Pa×s | 333.06 | Joback Calculated Property |
| η | 0.0013140 | Pa×s | 387.68 | Joback Calculated Property |
| η | 0.0006709 | Pa×s | 442.30 | Joback Calculated Property |
| η | 0.0003971 | Pa×s | 496.91 | Joback Calculated Property |
| η | 0.0002608 | Pa×s | 551.53 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 606.15 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 660.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, oct-3-en-2-yl ester.
Sources
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