- InChI
- InChI=1S/C10H18O/c1-5-7-8(3)10(6-2)9(4)11/h5-7H2,1-4H3/b10-8+
- InChI Key
- PUHMMKUISPITSC-CSKARUKUSA-N
- Formula
- C10H18O
- SMILES
- CCC/C(C)=C(\CC)C(C)=O
- Molecular Weight1
- 154.25
- 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).
- 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 | 0.4132 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.102 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | 466.80 | K | Relay (1.0) Calculated Property |
| Tc | 673.38 | K | Relay (1.0) Calculated Property |
| Tfus | 244.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.05; 402.56] | J/mol×K | [485.99; 673.17] | 
|
| Cp,gas | 325.05 | J/mol×K | 485.99 | Joback Calculated Property |
| Cp,gas | 339.62 | J/mol×K | 517.19 | Joback Calculated Property |
| Cp,gas | 353.49 | J/mol×K | 548.38 | Joback Calculated Property |
| Cp,gas | 366.69 | J/mol×K | 579.58 | Joback Calculated Property |
| Cp,gas | 379.25 | J/mol×K | 610.78 | Joback Calculated Property |
| Cp,gas | 391.20 | J/mol×K | 641.97 | Joback Calculated Property |
| Cp,gas | 402.56 | J/mol×K | 673.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hepten-2-one, 3-ethyl-4-methyl-.
Sources
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