- InChI
- InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
- InChI Key
- VQKIKHHXFHNXJT-SNAWJCMRSA-N
- Formula
- C7H12O
- SMILES
- CC/C=C/CC(C)=O
- Molecular Weight1
- 112.17
- Other Names
-
- (E)-4-Hepten-2-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.3253 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| I | [1335.00; 1335.00] |
|
|
| I | 1335.00 | NIST | |
| I | 1335.00 | NIST | |
| Tboil | 423.99 | K | Relay (1.0) Calculated Property |
| Tc | 612.03 | K | Relay (1.0) Calculated Property |
| Tfus | 213.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.17; 259.03] | J/mol×K | [417.79; 603.39] |
|
| Cp,gas | 200.17 | J/mol×K | 417.79 | Joback Calculated Property |
| Cp,gas | 211.23 | J/mol×K | 448.72 | Joback Calculated Property |
| Cp,gas | 221.75 | J/mol×K | 479.66 | Joback Calculated Property |
| Cp,gas | 231.78 | J/mol×K | 510.59 | Joback Calculated Property |
| Cp,gas | 241.32 | J/mol×K | 541.52 | Joback Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 572.45 | Joback Calculated Property |
| Cp,gas | 259.03 | J/mol×K | 603.39 | Joback Calculated Property |
| η | [0.0002488; 0.0038148] | Pa×s | [213.50; 417.79] |
|
| η | 0.0038148 | Pa×s | 213.50 | Joback Calculated Property |
| η | 0.0017700 | Pa×s | 247.55 | Joback Calculated Property |
| η | 0.0009888 | Pa×s | 281.60 | Joback Calculated Property |
| η | 0.0006263 | Pa×s | 315.64 | Joback Calculated Property |
| η | 0.0004336 | Pa×s | 349.69 | Joback Calculated Property |
| η | 0.0003205 | Pa×s | 383.74 | Joback Calculated Property |
| η | 0.0002488 | Pa×s | 417.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hepten-2-one, (E)-.
Sources
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