- 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
- 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 | 0.3395 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) 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 | 380.94 | K | Relay (1.0) Calculated Property |
| Tc | 598.95 | K | Relay (1.0) Calculated Property |
| Tfus | 234.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.03; 289.11] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.11100e+00 | |||
| Coefficient B | 5.25740e-01 | |||
| Coefficient C | -3.09100e-04 | |||
| Coefficient D | 7.03600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 200.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 220.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 238.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 267.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 278.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 289.11 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 3-methylene-.
Sources
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