- InChI
- InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2H,3,5H2,1H3
- InChI Key
- KSJAIMUFADDAOP-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- C#CC(=O)CCC
- Molecular Weight1
- 96.13
- CAS
- 689-00-9
- Other Names
-
- 1-Hexyn-3-one
- Ethynyl propyl ketone
- Hex-1-yn-3-one
- 1-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).
- Tboilr : Boiling point at reduced pressure (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° | 93.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 12.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.55 | kJ/mol | Joback Calculated Property |
| IE | [9.94; 10.22] | eV |
|
| IE | 10.22 ± 0.04 | eV | NIST |
| IE | 9.94 | eV | NIST |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 0.989 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 380.67 | K | Joback Calculated Property |
| Tc | 571.29 | K | Joback Calculated Property |
| Tfus | 254.28 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.89; 198.39] | J/mol×K | [380.67; 571.29] |
|
| Cp,gas | 153.89 | J/mol×K | 380.67 | Joback Calculated Property |
| Cp,gas | 162.24 | J/mol×K | 412.44 | Joback Calculated Property |
| Cp,gas | 170.20 | J/mol×K | 444.21 | Joback Calculated Property |
| Cp,gas | 177.78 | J/mol×K | 475.98 | Joback Calculated Property |
| Cp,gas | 184.99 | J/mol×K | 507.75 | Joback Calculated Property |
| Cp,gas | 191.86 | J/mol×K | 539.52 | Joback Calculated Property |
| Cp,gas | 198.39 | J/mol×K | 571.29 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.70 | K | 13.30 | NIST |
Similar Compounds
Find more compounds similar to HC«equiv»CCOCH2CH2CH3.
Sources
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