- InChI
- InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h6H,4-5H2,1-3H3/b7-6+
- InChI Key
- BDBHRHLQMIKKIB-VOTSOKGWSA-N
- Formula
- C8H14O
- SMILES
- CCC=C(C)C(=O)CC
- Molecular Weight1
- 126.20
- CAS
- 22319-31-9
- Other Names
-
- (E)-4-Methyl-4-hepten-3-one
- ω : Acentric Factor.
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.3693 | Relay (... Calculated Property | |
| ΔfG° | -40.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -1.94 | Relay (... Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| I | [1424.00; 1424.00] |
|
|
| I | 1424.00 | NIST | |
| I | 1424.00 | NIST | |
| Tboil | 421.45 | K | Relay (... Calculated Property |
| Tc | 623.94 | K | Relay (... Calculated Property |
| Tfus | 242.39 | K | Relay (... Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.66; 305.60] | J/mol×K | [440.35; 627.87] |
|
| Cp,gas | 239.66 | J/mol×K | 440.35 | Joback Calculated Property |
| Cp,gas | 252.05 | J/mol×K | 471.60 | Joback Calculated Property |
| Cp,gas | 263.86 | J/mol×K | 502.86 | Joback Calculated Property |
| Cp,gas | 275.09 | J/mol×K | 534.11 | Joback Calculated Property |
| Cp,gas | 285.78 | J/mol×K | 565.36 | Joback Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 596.61 | Joback Calculated Property |
| Cp,gas | 305.60 | J/mol×K | 627.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hepten-3-one, 4-methyl-.
Sources
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