- InChI
- InChI=1S/C6H10O/c1-4-5(2)6(3)7/h2,4H2,1,3H3
- InChI Key
- UOTSYAILGSUTAC-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=C(CC)C(C)=O
- Molecular Weight1
- 98.14
- CAS
- 4359-77-7
- Other Names
-
- 3-Buten-2-one, 3-ethyl-
- 3-Methylene-2-pentanone
- 3-Ethyl-3-buten-2-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).
- 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 |
|---|---|---|---|
| ΔfG° | -49.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| I | [1128.00; 1137.00] |
|
|
| I | 1137.00 | NIST | |
| I | 1128.00 | NIST | |
| I | 1137.00 | NIST | |
| Tboil | 387.11 | K | Joback Calculated Property |
| Tc | 572.11 | K | Joback Calculated Property |
| Tfus | 191.59 | K | Joback Calculated Property |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.39; 214.90] | J/mol×K | [387.11; 572.11] |
|
| Cp,gas | 163.39 | J/mol×K | 387.11 | Joback Calculated Property |
| Cp,gas | 172.98 | J/mol×K | 417.94 | Joback Calculated Property |
| Cp,gas | 182.16 | J/mol×K | 448.78 | Joback Calculated Property |
| Cp,gas | 190.92 | J/mol×K | 479.61 | Joback Calculated Property |
| Cp,gas | 199.29 | J/mol×K | 510.45 | Joback Calculated Property |
| Cp,gas | 207.28 | J/mol×K | 541.28 | Joback Calculated Property |
| Cp,gas | 214.90 | J/mol×K | 572.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 3-methylene-.
Sources
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