- InChI
- InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-4H2,1-2H3
- InChI Key
- KVCFELYYDWVHQI-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CCCC#CC(C)=O
- Molecular Weight1
- 110.15
- CAS
- 26059-43-8
- Other Names
-
- 3-Heptyne-2-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° | 81.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.07 | kJ/mol | Joback Calculated Property |
| IE | 9.67 | eV | NIST |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.379 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Tboil | 422.43 | K | Joback Calculated Property |
| Tc | 624.38 | K | Joback Calculated Property |
| Tfus | 324.68 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.11; 242.31] | J/mol×K | [422.43; 624.38] | 
|
| Cp,gas | 188.11 | J/mol×K | 422.43 | Joback Calculated Property |
| Cp,gas | 198.18 | J/mol×K | 456.09 | Joback Calculated Property |
| Cp,gas | 207.82 | J/mol×K | 489.75 | Joback Calculated Property |
| Cp,gas | 217.05 | J/mol×K | 523.41 | Joback Calculated Property |
| Cp,gas | 225.86 | J/mol×K | 557.07 | Joback Calculated Property |
| Cp,gas | 234.28 | J/mol×K | 590.72 | Joback Calculated Property |
| Cp,gas | 242.31 | J/mol×K | 624.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hept-3-yn-2-one.
Sources
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