- InChI
- InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2
- InChI Key
- WASQWSOJHCZDFK-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- C=C1CC(=O)O1
- Molecular Weight1
- 84.07
- CAS
- 674-82-8
- Other Names
-
- 3-Butenoic acid, 3-hydroxy-, «beta»-lactone
- 4-Methylene-2-oxetanone
- DIMER
- Diketen
- Diketene
- ETHENONE
- Ethenone, dimer
- Ketene dimer
- Vinylaceto-«beta»-lactone
- but-3-en-3-olide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -1912.50 ± 0.42 | kJ/mol | NIST |
| ΔfH°gas | -190.20 ± 0.54 | kJ/mol | NIST |
| ΔfH°liquid | -233.10 ± 0.46 | kJ/mol | NIST |
| ΔfusH° | 8.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [42.90; 42.90] | kJ/mol |
|
| ΔvapH° | 42.90 | kJ/mol | NIST |
| ΔvapH° | 42.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 42.90 | kJ/mol | NIST |
| ΔvapH° | 42.90 ± 0.10 | kJ/mol | NIST |
| IE | 9.60 ± 0.02 | eV | NIST |
| logPoct/wat | 0.447 | Crippen Calculated Property | |
| McVol | 59.500 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 2 | KDB | |
| Inp | [709.20; 709.20] |
|
|
| Inp | 709.20 | NIST | |
| Inp | 709.20 | NIST | |
| Tboil | [399.20; 400.60] | K |
|
| Tboil | 400.60 | K | NIST |
| Tboil | 399.20 | K | NIST |
| Tboil | 400.15 | K | NIST |
| Tfus | 266.15 ± 2.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [36.80; 42.90] | kJ/mol | [342.50; 399.20] |
|
| ΔvapH | 42.90 | kJ/mol | 342.50 | NIST |
| ΔvapH | 36.80 | kJ/mol | 399.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.70 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.36; 173.19] | 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 | -4.11000e+00 | |||
| Coefficient B | 3.98500e-01 | |||
| Coefficient C | -3.28800e-04 | |||
| Coefficient D | 1.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 82.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 100.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 115.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 128.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 139.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 148.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 155.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 162.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 167.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 173.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005545; 0.0003384] | Pa×s | [266.15; 378.48] |
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 | -9.16130e+00 | |||
| Coefficient B | 4.42860e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 266.15 | |||
| Temperature range, max. | 378.48 | |||
| η | 0.0005545 | Pa×s | 266.15 | Calculated Property |
| η | 0.0005147 | Pa×s | 278.63 | Calculated Property |
| η | 0.0004808 | Pa×s | 291.11 | Calculated Property |
| η | 0.0004517 | Pa×s | 303.59 | Calculated Property |
| η | 0.0004264 | Pa×s | 316.07 | Calculated Property |
| η | 0.0004043 | Pa×s | 328.55 | Calculated Property |
| η | 0.0003848 | Pa×s | 341.03 | Calculated Property |
| η | 0.0003676 | Pa×s | 353.51 | Calculated Property |
| η | 0.0003522 | Pa×s | 366.00 | Calculated Property |
| η | 0.0003384 | Pa×s | 378.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.19; 202.67] | kPa | [266.65; 425.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53129e+01 | |||
| Coefficient B | -3.86501e+03 | |||
| Coefficient C | -3.92000e+01 | |||
| Temperature range, min. | 266.65 | |||
| Temperature range, max. | 425.65 | |||
| Pvap | 0.19 | kPa | 266.65 | Calculated Property |
| Pvap | 0.63 | kPa | 284.32 | Calculated Property |
| Pvap | 1.83 | kPa | 301.98 | Calculated Property |
| Pvap | 4.62 | kPa | 319.65 | Calculated Property |
| Pvap | 10.47 | kPa | 337.32 | Calculated Property |
| Pvap | 21.62 | kPa | 354.98 | Calculated Property |
| Pvap | 41.34 | kPa | 372.65 | Calculated Property |
| Pvap | 74.08 | kPa | 390.32 | Calculated Property |
| Pvap | 125.52 | kPa | 407.98 | Calculated Property |
| Pvap | 202.67 | kPa | 425.65 | Calculated Property |
| Pvap | [0.18; 5961.07] | kPa | [266.65; 616.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 3.76192e+01 | |||
| Coefficient B | -6.01856e+03 | |||
| Coefficient C | -3.00236e+00 | |||
| Coefficient D | 3.40369e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 266.65 | |||
| Temperature range, max. | 616.00 | |||
| Pvap | 0.18 | kPa | 266.65 | Calculated Property |
| Pvap | 2.16 | kPa | 305.47 | Calculated Property |
| Pvap | 14.01 | kPa | 344.28 | Calculated Property |
| Pvap | 60.34 | kPa | 383.10 | Calculated Property |
| Pvap | 193.68 | kPa | 421.92 | Calculated Property |
| Pvap | 500.43 | kPa | 460.73 | Calculated Property |
| Pvap | 1096.99 | kPa | 499.55 | Calculated Property |
| Pvap | 2117.59 | kPa | 538.37 | Calculated Property |
| Pvap | 3698.11 | kPa | 577.18 | Calculated Property |
| Pvap | 5961.07 | kPa | 616.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 4-methylene-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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