- InChI
- InChI=1S/C7H10O/c1-4-5-7(8)6(2)3/h6H,1-3H3
- InChI Key
- XYKVPEZERYZDJY-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CC#CC(=O)C(C)C
- Molecular Weight1
- 110.15
- CAS
- 52066-33-8
- Other Names
-
- 2-Methyl-4-hexyne-3-one
- 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).
- IE : Ionization energy (eV).
- 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° | 79.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.69 | kJ/mol | Joback Calculated Property |
| IE | 9.50 | eV | NIST |
| log10WS | -1.59 | Crippen Calculated Property | |
| logPoct/wat | 1.235 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | 421.99 | K | Joback Calculated Property |
| Tc | 628.86 | K | Joback Calculated Property |
| Tfus | 309.68 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.19; 244.00] | J/mol×K | [421.99; 628.86] | 
|
| Cp,gas | 188.19 | J/mol×K | 421.99 | Joback Calculated Property |
| Cp,gas | 198.60 | J/mol×K | 456.47 | Joback Calculated Property |
| Cp,gas | 208.55 | J/mol×K | 490.95 | Joback Calculated Property |
| Cp,gas | 218.06 | J/mol×K | 525.43 | Joback Calculated Property |
| Cp,gas | 227.13 | J/mol×K | 559.91 | Joback Calculated Property |
| Cp,gas | 235.77 | J/mol×K | 594.39 | Joback Calculated Property |
| Cp,gas | 244.00 | J/mol×K | 628.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hex-2-yn-4-one, 2-methyl-.
Sources
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