- InChI
- InChI=1S/C7H10O/c1-5-6(8)7(2,3)4/h1H,2-4H3
- InChI Key
- XRWYQSOYUZOEQH-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C#CC(=O)C(C)(C)C
- Molecular Weight1
- 110.15
- CAS
- 5891-25-8
- Other Names
-
- 4,4-Dimethyl-1-pentyne-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° | 105.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.48 | kJ/mol | Joback Calculated Property |
| IE | 9.75 | eV | NIST |
| log10WS | -1.59 | Crippen Calculated Property | |
| logPoct/wat | 1.235 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Tboil | 400.32 | K | Joback Calculated Property |
| Tc | 602.82 | K | Joback Calculated Property |
| Tfus | 267.97 | K | Joback Calculated Property |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.25; 248.45] | J/mol×K | [400.32; 602.82] | 
|
| Cp,gas | 191.25 | J/mol×K | 400.32 | Joback Calculated Property |
| Cp,gas | 202.41 | J/mol×K | 434.07 | Joback Calculated Property |
| Cp,gas | 212.87 | J/mol×K | 467.82 | Joback Calculated Property |
| Cp,gas | 222.67 | J/mol×K | 501.57 | Joback Calculated Property |
| Cp,gas | 231.84 | J/mol×K | 535.32 | Joback Calculated Property |
| Cp,gas | 240.42 | J/mol×K | 569.07 | Joback Calculated Property |
| Cp,gas | 248.45 | J/mol×K | 602.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pent-4-yn-3-one, 2,2-dimethyl-.
Sources
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