- InChI
- InChI=1S/C14H22O2/c1-6-7-14(15)16-13(10-12(4)5)9-8-11(2)3/h12-13H,2,6-7,10H2,1,3-5H3
- InChI Key
- LEJKEOGIMLHRRZ-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)CCC
- Molecular Weight1
- 222.32
- 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° | 110.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.324 | Crippen Calculated Property | |
| McVol | 202.660 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [1388.00; 1388.00] |
|
|
| Inp | 1388.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Tboil | 600.69 | K | Joback Calculated Property |
| Tc | 798.91 | K | Joback Calculated Property |
| Tfus | 380.08 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.69; 596.78] | J/mol×K | [600.69; 798.91] |
|
| Cp,gas | 507.69 | J/mol×K | 600.69 | Joback Calculated Property |
| Cp,gas | 524.54 | J/mol×K | 633.73 | Joback Calculated Property |
| Cp,gas | 540.57 | J/mol×K | 666.76 | Joback Calculated Property |
| Cp,gas | 555.78 | J/mol×K | 699.80 | Joback Calculated Property |
| Cp,gas | 570.21 | J/mol×K | 732.84 | Joback Calculated Property |
| Cp,gas | 583.87 | J/mol×K | 765.88 | Joback Calculated Property |
| Cp,gas | 596.78 | J/mol×K | 798.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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