- InChI
- InChI=1S/C15H22O2/c1-11(2)8-9-14(10-12(3)4)17-15(16)13-6-5-7-13/h12-14H,1,5-7,10H2,2-4H3
- InChI Key
- IOAICZNMDBXBSM-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)C1CCC1
- Molecular Weight1
- 234.33
- 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° | 167.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -153.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.324 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | 1518.00 | NIST | |
| Tboil | 634.58 | K | Joback Calculated Property |
| Tc | 849.68 | K | Joback Calculated Property |
| Tfus | 405.77 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.51; 644.81] | J/mol×K | [634.58; 849.68] | 
|
| Cp,gas | 547.51 | J/mol×K | 634.58 | Joback Calculated Property |
| Cp,gas | 566.36 | J/mol×K | 670.43 | Joback Calculated Property |
| Cp,gas | 584.09 | J/mol×K | 706.28 | Joback Calculated Property |
| Cp,gas | 600.76 | J/mol×K | 742.13 | Joback Calculated Property |
| Cp,gas | 616.40 | J/mol×K | 777.98 | Joback Calculated Property |
| Cp,gas | 631.07 | J/mol×K | 813.83 | Joback Calculated Property |
| Cp,gas | 644.81 | J/mol×K | 849.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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