- InChI
- InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h3-5H2,1-2H3
- InChI Key
- VJKHTMGYHCBXHV-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- CCCCC#CC(C)=O
- Molecular Weight1
- 124.18
- CAS
- 1119-58-0
- Other Names
-
- Butyl(acetyl)acetylene
- Acetylbutylacetylene
- Oct-3-yn-2-one
- 3-Octyne-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° | 90.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.30 | kJ/mol | Joback Calculated Property |
| IE | 9.64 | eV | NIST |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.769 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Tboil | 445.31 | K | Joback Calculated Property |
| Tc | 645.05 | K | Joback Calculated Property |
| Tfus | 335.95 | K | Joback Calculated Property |
| Vc | 0.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.66; 287.97] | J/mol×K | [445.31; 645.05] | 
|
| Cp,gas | 226.66 | J/mol×K | 445.31 | Joback Calculated Property |
| Cp,gas | 238.08 | J/mol×K | 478.60 | Joback Calculated Property |
| Cp,gas | 249.00 | J/mol×K | 511.89 | Joback Calculated Property |
| Cp,gas | 259.44 | J/mol×K | 545.18 | Joback Calculated Property |
| Cp,gas | 269.40 | J/mol×K | 578.47 | Joback Calculated Property |
| Cp,gas | 278.91 | J/mol×K | 611.76 | Joback Calculated Property |
| Cp,gas | 287.97 | J/mol×K | 645.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octyn-2-one.
Sources
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