- InChI
- InChI=1S/C15H22O2/c1-5-6-12(4)14(10-7-11(2)3)17-15(16)13-8-9-13/h12-14H,2,5-6,8-9H2,1,3-4H3
- InChI Key
- VFJRVZGRSIWNJD-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- C=C(C)C#CC(OC(=O)C1CC1)C(C)CCC
- 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° | 179.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.84 | 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 | 1959.60 | kPa | Joback Calculated Property |
| Inp | 1528.00 | NIST | |
| Tboil | 630.31 | K | Joback Calculated Property |
| Tc | 838.76 | K | Joback Calculated Property |
| Tfus | 409.29 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.42; 638.90] | J/mol×K | [630.31; 838.76] | 
|
| Cp,gas | 545.42 | J/mol×K | 630.31 | Joback Calculated Property |
| Cp,gas | 563.38 | J/mol×K | 665.05 | Joback Calculated Property |
| Cp,gas | 580.33 | J/mol×K | 699.79 | Joback Calculated Property |
| Cp,gas | 596.30 | J/mol×K | 734.54 | Joback Calculated Property |
| Cp,gas | 611.35 | J/mol×K | 769.28 | Joback Calculated Property |
| Cp,gas | 625.54 | J/mol×K | 804.02 | Joback Calculated Property |
| Cp,gas | 638.90 | J/mol×K | 838.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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