- InChI
- InChI=1S/C14H24O2/c1-7-8-9-12(10-11(2)3)16-13(15)14(4,5)6/h11-12H,7,10H2,1-6H3
- InChI Key
- CPFVDMGMVWCYGU-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)C(C)(C)C
- Molecular Weight1
- 224.34
- 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° | 33.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.404 | Crippen Calculated Property | |
| McVol | 206.960 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [1317.00; 1317.00] |
|
|
| Inp | 1317.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Tboil | 600.90 | K | Joback Calculated Property |
| Tc | 803.06 | K | Joback Calculated Property |
| Tfus | 398.22 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.20; 626.51] | J/mol×K | [600.90; 803.06] |
|
| Cp,gas | 532.20 | J/mol×K | 600.90 | Joback Calculated Property |
| Cp,gas | 550.22 | J/mol×K | 634.59 | Joback Calculated Property |
| Cp,gas | 567.28 | J/mol×K | 668.29 | Joback Calculated Property |
| Cp,gas | 583.40 | J/mol×K | 701.98 | Joback Calculated Property |
| Cp,gas | 598.63 | J/mol×K | 735.67 | Joback Calculated Property |
| Cp,gas | 612.98 | J/mol×K | 769.36 | Joback Calculated Property |
| Cp,gas | 626.51 | J/mol×K | 803.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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