- InChI
- InChI=1S/C14H22O2/c1-4-5-9-13(10-11(2)3)16-14(15)12-7-6-8-12/h11-13H,4,6-8,10H2,1-3H3
- InChI Key
- RVJZQJXADXKDGY-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)C1CCC1
- 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° | 79.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 196.100 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1460.00 | NIST | |
| Tboil | 615.14 | K | Joback Calculated Property |
| Tc | 826.07 | K | Joback Calculated Property |
| Tfus | 410.22 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.21; 614.37] | J/mol×K | [615.14; 826.07] | 
|
| Cp,gas | 517.21 | J/mol×K | 615.14 | Joback Calculated Property |
| Cp,gas | 535.91 | J/mol×K | 650.29 | Joback Calculated Property |
| Cp,gas | 553.56 | J/mol×K | 685.45 | Joback Calculated Property |
| Cp,gas | 570.19 | J/mol×K | 720.60 | Joback Calculated Property |
| Cp,gas | 585.85 | J/mol×K | 755.76 | Joback Calculated Property |
| Cp,gas | 600.56 | J/mol×K | 790.91 | Joback Calculated Property |
| Cp,gas | 614.37 | J/mol×K | 826.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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