- InChI
- InChI=1S/C14H20O2/c1-10(2)5-8-13(9-11(3)4)16-14(15)12-6-7-12/h11-13H,1,6-7,9H2,2-4H3
- InChI Key
- YZKCWJQTDUOUNL-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)C1CC1
- Molecular Weight1
- 220.31
- 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° | 171.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 2.934 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | 1444.00 | NIST | |
| Tboil | 607.43 | K | Joback Calculated Property |
| Tc | 819.24 | K | Joback Calculated Property |
| Tfus | 398.02 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.61; 584.53] | J/mol×K | [607.43; 819.24] | 
|
| Cp,gas | 493.61 | J/mol×K | 607.43 | Joback Calculated Property |
| Cp,gas | 511.12 | J/mol×K | 642.73 | Joback Calculated Property |
| Cp,gas | 527.63 | J/mol×K | 678.03 | Joback Calculated Property |
| Cp,gas | 543.17 | J/mol×K | 713.33 | Joback Calculated Property |
| Cp,gas | 557.80 | J/mol×K | 748.64 | Joback Calculated Property |
| Cp,gas | 571.57 | J/mol×K | 783.94 | Joback Calculated Property |
| Cp,gas | 584.53 | J/mol×K | 819.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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