- InChI
- InChI=1S/C11H16O2/c1-3-6-10(4-2)13-11(12)9-7-5-8-9/h9-10H,4-5,7-8H2,1-2H3
- InChI Key
- YQYKIUIBLHLILR-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- CC#CC(CC)OC(=O)C1CCC1
- Molecular Weight1
- 180.24
- 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° | 56.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 1297.00 | NIST | |
| Tboil | 546.94 | K | Joback Calculated Property |
| Tc | 764.22 | K | Joback Calculated Property |
| Tfus | 391.41 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.11; 453.03] | J/mol×K | [546.94; 764.22] | 
|
| Cp,gas | 367.11 | J/mol×K | 546.94 | Joback Calculated Property |
| Cp,gas | 383.61 | J/mol×K | 583.15 | Joback Calculated Property |
| Cp,gas | 399.21 | J/mol×K | 619.37 | Joback Calculated Property |
| Cp,gas | 413.91 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 427.77 | J/mol×K | 691.79 | Joback Calculated Property |
| Cp,gas | 440.79 | J/mol×K | 728.01 | Joback Calculated Property |
| Cp,gas | 453.03 | J/mol×K | 764.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, hex-4-yn-3-yl ester.
Sources
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