- InChI
- InChI=1S/C14H22O2/c1-3-7-13(4-2)16-14(15)11-10-12-8-5-6-9-12/h12-13H,4-6,8-11H2,1-2H3
- InChI Key
- BDPKCKWTSQVSMQ-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CC#CC(CC)OC(=O)CCC1CCCC1
- Molecular Weight1
- 222.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 69.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 196.100 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| Inp | 1605.00 | NIST | |
| Tboil | 619.85 | K | Joback Calculated Property |
| Tc | 833.36 | K | Joback Calculated Property |
| Tfus | 421.70 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.77; 618.18] | J/mol×K | [619.85; 833.36] | 
|
| Cp,gas | 518.77 | J/mol×K | 619.85 | Joback Calculated Property |
| Cp,gas | 537.97 | J/mol×K | 655.43 | Joback Calculated Property |
| Cp,gas | 556.08 | J/mol×K | 691.02 | Joback Calculated Property |
| Cp,gas | 573.12 | J/mol×K | 726.60 | Joback Calculated Property |
| Cp,gas | 589.14 | J/mol×K | 762.19 | Joback Calculated Property |
| Cp,gas | 604.14 | J/mol×K | 797.77 | Joback Calculated Property |
| Cp,gas | 618.18 | J/mol×K | 833.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, hex-4-yn-3-yl ester.
Sources
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