- InChI
- InChI=1S/C11H18O3/c1-3-5-6-7-10(12)8-9-11(13)14-4-2/h10,12H,3-7H2,1-2H3
- InChI Key
- UHIJSVJMDAUUNM-UHFFFAOYSA-N
- Formula
- C11H18O3
- SMILES
- CCCCCC(O)C#CC(=O)OCC
- Molecular Weight1
- 198.26
- 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).
- 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° | -128.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.68 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 1.494 | Crippen Calculated Property | |
| McVol | 170.560 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 628.11 | K | Joback Calculated Property |
| Tc | 813.09 | K | Joback Calculated Property |
| Tfus | 437.81 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.90; 504.50] | J/mol×K | [628.11; 813.09] | 
|
| Cp,gas | 437.90 | J/mol×K | 628.11 | Joback Calculated Property |
| Cp,gas | 450.40 | J/mol×K | 658.94 | Joback Calculated Property |
| Cp,gas | 462.32 | J/mol×K | 689.77 | Joback Calculated Property |
| Cp,gas | 473.69 | J/mol×K | 720.60 | Joback Calculated Property |
| Cp,gas | 484.50 | J/mol×K | 751.43 | Joback Calculated Property |
| Cp,gas | 494.77 | J/mol×K | 782.26 | Joback Calculated Property |
| Cp,gas | 504.50 | J/mol×K | 813.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-non-2-ynoic acid, ethyl ester.
Sources
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