- InChI
- InChI=1S/C16H24O2/c1-5-7-13(4)15(11-10-12(2)3)18-16(17)14-8-6-9-14/h13-15H,2,5-9H2,1,3-4H3
- InChI Key
- XUSFHBIEAJSZDC-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
-
C=C(C)C#CC(OC(=O)C1CCC1)C(C)CC
C - Molecular Weight1
- 248.36
- 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° | 175.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.714 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Inp | 1604.00 | NIST | |
| Tboil | 657.46 | K | Joback Calculated Property |
| Tc | 869.10 | K | Joback Calculated Property |
| Tfus | 417.04 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.09; 700.26] | J/mol×K | [657.46; 869.10] | 
|
| Cp,gas | 601.09 | J/mol×K | 657.46 | Joback Calculated Property |
| Cp,gas | 620.27 | J/mol×K | 692.73 | Joback Calculated Property |
| Cp,gas | 638.33 | J/mol×K | 728.01 | Joback Calculated Property |
| Cp,gas | 655.31 | J/mol×K | 763.28 | Joback Calculated Property |
| Cp,gas | 671.26 | J/mol×K | 798.55 | Joback Calculated Property |
| Cp,gas | 686.23 | J/mol×K | 833.82 | Joback Calculated Property |
| Cp,gas | 700.26 | J/mol×K | 869.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cylobutanecarboxylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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