- InChI
- InChI=1S/C11H18O2/c1-6-8-9(7-2)13-10(12)11(3,4)5/h9H,7H2,1-5H3
- InChI Key
- OHXKMFWHFLPFCX-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- CC#CC(CC)OC(=O)C(C)(C)C
- Molecular Weight1
- 182.26
- 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).
- 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° | 11.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Tboil | 532.70 | K | Joback Calculated Property |
| Tc | 739.90 | K | Joback Calculated Property |
| Tfus | 379.41 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.97; 466.47] | J/mol×K | [532.70; 739.90] | 
|
| Cp,gas | 383.97 | J/mol×K | 532.70 | Joback Calculated Property |
| Cp,gas | 399.70 | J/mol×K | 567.23 | Joback Calculated Property |
| Cp,gas | 414.61 | J/mol×K | 601.77 | Joback Calculated Property |
| Cp,gas | 428.71 | J/mol×K | 636.30 | Joback Calculated Property |
| Cp,gas | 442.04 | J/mol×K | 670.83 | Joback Calculated Property |
| Cp,gas | 454.62 | J/mol×K | 705.37 | Joback Calculated Property |
| Cp,gas | 466.47 | J/mol×K | 739.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, hex-4-yn-3-yl ester.
Sources
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