- InChI
- InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-13-18-22-20(21)17-16-19-14-11-12-15-19/h19H,2,5-18H2,1H3
- InChI Key
- AVFPBHQFAAPMLJ-UHFFFAOYSA-N
- Formula
- C20H34O2
- SMILES
- CCC#CCCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 306.48
- Other Names
-
- 3-cyclopentylpropionic acid, dodec-9-ynyl
- 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° | 122.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.644 | Crippen Calculated Property | |
| McVol | 280.640 | ml/mol | McGowan Calculated Property |
| Pc | 1320.39 | kPa | Joback Calculated Property |
| Inp | [2299.20; 2299.20] |
|
|
| Inp | 2299.20 | NIST | |
| Inp | 2299.20 | NIST | |
| Tboil | 757.57 | K | Joback Calculated Property |
| Tc | 953.57 | K | Joback Calculated Property |
| Tfus | 504.32 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.44; 961.37] | J/mol×K | [757.57; 953.57] |
|
| Cp,gas | 856.44 | J/mol×K | 757.57 | Joback Calculated Property |
| Cp,gas | 876.68 | J/mol×K | 790.24 | Joback Calculated Property |
| Cp,gas | 895.77 | J/mol×K | 822.90 | Joback Calculated Property |
| Cp,gas | 913.75 | J/mol×K | 855.57 | Joback Calculated Property |
| Cp,gas | 930.64 | J/mol×K | 888.24 | Joback Calculated Property |
| Cp,gas | 946.50 | J/mol×K | 920.90 | Joback Calculated Property |
| Cp,gas | 961.37 | J/mol×K | 953.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, dodec-9-ynyl ester.
Sources
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