- InChI
- InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
- InChI Key
- FUSUHKVFWTUUBE-UHFFFAOYSA-N
- Formula
- C4H6O
- SMILES
- C=CC(C)=O
- Molecular Weight1
- 70.09
- CAS
- 78-94-4
- Other Names
-
- 1-Buten-3-one
- 2-Butenone
- 3-Butene-2-one
- 3-Butenen-2-one
- 3-Oxo-1-butene
- 3-Oxobutene
- 3-buten-2-one
- Acetone, methylene-
- Acetyl ethylene
- But-3-en-2-one
- CH2=CHCOCH3
- Ketone, methyl vinyl
- Methyl ethenyl ketone
- Methyl-vinyl-cetone
- Methylene acetone
- Methylvinylketon
- NSC 4853
- UN 1251
- butenone
- vinyl methyl ketone
- «gamma»-Oxo-«alpha»-butylene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- S°gas : Molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3005 | Relay (1.0) Calculated Property | |
| PAff | 834.70 | kJ/mol | NIST |
| BasG | 802.80 | kJ/mol | NIST |
| ΔfG° | -58.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.00 ± 11.00 | kJ/mol | NIST |
| ΔfusH° | 6.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.61; 10.11] | eV |
|
| IE | 9.65 ± 0.02 | eV | NIST |
| IE | 9.66 | eV | NIST |
| IE | 9.64 | eV | NIST |
| IE | 9.66 | eV | NIST |
| IE | Outlier 10.11 | eV | NIST |
| IE | 9.61 | eV | NIST |
| IE | 9.67 | eV | NIST |
| log10WS | 0.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.761 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 4462.28 | kPa | Joback Calculated Property |
| Inp | [550.00; 600.00] |
|
|
| Inp | 551.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 568.20 | NIST | |
| Inp | 568.00 | NIST | |
| Inp | 581.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 550.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 581.00 | NIST | |
| Ip | [927.00; 995.00] |
|
|
| Ip | 945.00 | NIST | |
| Ip | 948.00 | NIST | |
| Ip | 947.00 | NIST | |
| Ip | 953.00 | NIST | |
| Ip | 946.00 | NIST | |
| Ip | 947.00 | NIST | |
| Ip | 961.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 943.00 | NIST | |
| Ip | 938.00 | NIST | |
| Ip | 945.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 946.00 | NIST | |
| Ip | 953.00 | NIST | |
| Ip | 947.00 | NIST | |
| Ip | Outlier 995.00 | NIST | |
| Ip | 942.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 952.00 | NIST | |
| Ip | 947.00 | NIST | |
| S°gas | 320.34 | J/mol×K | NIST |
| Tboil | [354.00; 354.60] | K |
|
| Tboil | 354.60 | K | NIST |
| Tboil | 354.00 ± 4.00 | K | NIST |
| Tc | 555.02 | K | Relay (1.0) Calculated Property |
| Tfus | 266.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.243 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [32.90; 33.60] | kJ/mol | [317.00; 327.50] |
|
| ΔvapH | 32.90 | kJ/mol | 317.00 | NIST |
| ΔvapH | 33.60 | kJ/mol | 327.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 309.80 | K | 19.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.45; 186.20] | 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 | 3.62000e+00 | |||
| Coefficient B | 3.35820e-01 | |||
| Coefficient C | -1.98000e-04 | |||
| Coefficient D | 4.47600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 81.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 99.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 115.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 130.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 142.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 154.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 163.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 172.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 179.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 186.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005311; 0.0002168] | Pa×s | [266.15; 366.93] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08022e+01 | |||
| Coefficient B | 8.68110e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 266.15 | |||
| Temperature range, max. | 366.93 | |||
| η | 0.0005311 | Pa×s | 266.15 | Calculated Property |
| η | 0.0004656 | Pa×s | 277.35 | Calculated Property |
| η | 0.0004124 | Pa×s | 288.55 | Calculated Property |
| η | 0.0003685 | Pa×s | 299.74 | Calculated Property |
| η | 0.0003320 | Pa×s | 310.94 | Calculated Property |
| η | 0.0003013 | Pa×s | 322.14 | Calculated Property |
| η | 0.0002752 | Pa×s | 333.34 | Calculated Property |
| η | 0.0002529 | Pa×s | 344.54 | Calculated Property |
| η | 0.0002336 | Pa×s | 355.73 | Calculated Property |
| η | 0.0002168 | Pa×s | 366.93 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [257.44; 378.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46500e+01 | |||
| Coefficient B | -3.23247e+03 | |||
| Coefficient C | -3.23750e+01 | |||
| Temperature range, min. | 257.44 | |||
| Temperature range, max. | 378.52 | |||
| Pvap | 1.33 | kPa | 257.44 | Calculated Property |
| Pvap | 3.00 | kPa | 270.89 | Calculated Property |
| Pvap | 6.18 | kPa | 284.35 | Calculated Property |
| Pvap | 11.84 | kPa | 297.80 | Calculated Property |
| Pvap | 21.31 | kPa | 311.25 | Calculated Property |
| Pvap | 36.32 | kPa | 324.71 | Calculated Property |
| Pvap | 59.09 | kPa | 338.16 | Calculated Property |
| Pvap | 92.25 | kPa | 351.61 | Calculated Property |
| Pvap | 138.92 | kPa | 365.07 | Calculated Property |
| Pvap | 202.66 | kPa | 378.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl vinyl ketone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partition Coefficients of Organic Solutes between Supercritical Carbon Dioxide and Water: Experimental Measurements and Empirical Correlations
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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