- InChI
- InChI=1S/C17H28O2/c1-4-5-10-16(13-14(2)3)19-17(18)12-11-15-8-6-7-9-15/h14-16H,4,6-9,11-13H2,1-3H3
- InChI Key
- AJIYNFIZBQJLGY-UHFFFAOYSA-N
- Formula
- C17H28O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCC1CCCC1
- Molecular Weight1
- 264.40
- 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° | 92.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.328 | Crippen Calculated Property | |
| McVol | 238.370 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 1787.20 | NIST | |
| Tboil | 688.05 | K | Joback Calculated Property |
| Tc | 895.84 | K | Joback Calculated Property |
| Tfus | 440.51 | K | Joback Calculated Property |
| Vc | 0.902 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.06; 788.53] | J/mol×K | [688.05; 895.84] | 
|
| Cp,gas | 683.06 | J/mol×K | 688.05 | Joback Calculated Property |
| Cp,gas | 703.51 | J/mol×K | 722.68 | Joback Calculated Property |
| Cp,gas | 722.76 | J/mol×K | 757.31 | Joback Calculated Property |
| Cp,gas | 740.86 | J/mol×K | 791.94 | Joback Calculated Property |
| Cp,gas | 757.83 | J/mol×K | 826.57 | Joback Calculated Property |
| Cp,gas | 773.71 | J/mol×K | 861.20 | Joback Calculated Property |
| Cp,gas | 788.53 | J/mol×K | 895.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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