- InChI
- InChI=1S/C6H10O/c1-4-6(7)5(2)3/h4-5H,1H2,2-3H3
- InChI Key
- SNOYUTZWILESAI-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CC(=O)C(C)C
- Molecular Weight1
- 98.14
- CAS
- 1606-47-9
- Other Names
-
- Isopropyl vinyl ketone
- iso-C3H7COCH=CH2
- 4-Methyl-1-penten-3-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).
- Inp : Non-polar retention indices.
- 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 | 0.3391 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | NIST |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Inp | [830.00; 830.00] |
|
|
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST | |
| I | [1093.00; 1093.00] |
|
|
| I | 1093.00 | NIST | |
| I | 1093.00 | NIST | |
| Tboil | 369.39 | K | Relay (1.0) Calculated Property |
| Tc | 553.70 | K | Relay (1.0) Calculated Property |
| Tfus | 192.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.35; 215.70] | J/mol×K | [386.79; 572.47] |
|
| Cp,gas | 163.35 | J/mol×K | 386.79 | Joback Calculated Property |
| Cp,gas | 173.11 | J/mol×K | 417.74 | Joback Calculated Property |
| Cp,gas | 182.44 | J/mol×K | 448.68 | Joback Calculated Property |
| Cp,gas | 191.35 | J/mol×K | 479.63 | Joback Calculated Property |
| Cp,gas | 199.86 | J/mol×K | 510.57 | Joback Calculated Property |
| Cp,gas | 207.97 | J/mol×K | 541.52 | Joback Calculated Property |
| Cp,gas | 215.70 | J/mol×K | 572.47 | Joback Calculated Property |
| η | [0.0002834; 0.0052215] | Pa×s | [190.55; 386.79] |
|
| η | 0.0052215 | Pa×s | 190.55 | Joback Calculated Property |
| η | 0.0022513 | Pa×s | 223.26 | Joback Calculated Property |
| η | 0.0012035 | Pa×s | 255.96 | Joback Calculated Property |
| η | 0.0007415 | Pa×s | 288.67 | Joback Calculated Property |
| η | 0.0005041 | Pa×s | 321.38 | Joback Calculated Property |
| η | 0.0003681 | Pa×s | 354.08 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 386.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-one, 4-methyl-.
Sources
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