- InChI
- InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-6,9-10H2,1H3
- InChI Key
- BQEYXXKXBICFDS-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCCCCCC#CC1CCC(=O)O1
- Molecular Weight1
- 194.27
- 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° | 80.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.666 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | 1714.00 | NIST | |
| Tboil | 593.01 | K | Joback Calculated Property |
| Tc | 815.58 | K | Joback Calculated Property |
| Tfus | 436.79 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.80; 526.31] | J/mol×K | [593.01; 815.58] | 
|
| Cp,gas | 431.80 | J/mol×K | 593.01 | Joback Calculated Property |
| Cp,gas | 449.95 | J/mol×K | 630.10 | Joback Calculated Property |
| Cp,gas | 467.13 | J/mol×K | 667.20 | Joback Calculated Property |
| Cp,gas | 483.34 | J/mol×K | 704.29 | Joback Calculated Property |
| Cp,gas | 498.61 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 512.92 | J/mol×K | 778.48 | Joback Calculated Property |
| Cp,gas | 526.31 | J/mol×K | 815.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodec-5-yn-4-olide.
Sources
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