- InChI
- InChI=1S/C2H2O/c1-2-3/h1H2
- InChI Key
- CCGKOQOJPYTBIH-UHFFFAOYSA-N
- Formula
- C2H2O
- SMILES
- C=C=O
- Molecular Weight1
- 42.04
- CAS
- 463-51-4
- Other Names
-
- CARBOMETHENE
- CH2CO
- ETHENONE
- Keto-ethylene
- METHYLENE KETONE
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°(+) ion : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
- ΔfH(+) ion,0K : Enthalpy of formation of positive ion at 0K (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2100 | KDB | |
| PAff | [822.90; 825.30] | kJ/mol |
|
| PAff | 825.30 | kJ/mol | NIST |
| PAff | 822.90 ± 3.40 | kJ/mol | NIST |
| PAff | 822.90 ± 3.40 | kJ/mol | NIST |
| BasG | [790.10; 793.60] | kJ/mol |
|
| BasG | 793.60 | kJ/mol | NIST |
| BasG | 790.10 ± 1.50 | kJ/mol | NIST |
| BasG | 790.10 ± 1.50 | kJ/mol | NIST |
| μ | 1.40 | debye | KDB |
| ΔfG° | -60.33 | kJ/mol | KDB |
| ΔfH°gas | [-87.24; -48.00] | kJ/mol |
|
| ΔfH°gas | -61.13 | kJ/mol | KDB |
| ΔfH°gas | -87.24 | kJ/mol | NIST |
| ΔfH°gas | -48.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°gas | -61.84 | kJ/mol | NIST |
| ΔfH°(+) ion | 879.00 | kJ/mol | NIST |
| ΔfH(+) ion,0K | 883.00 | kJ/mol | NIST |
| ΔfusH° | 6.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 20.40 ± 5.90 | kJ/mol | NIST |
| IE | [9.60; 9.64] | eV |
|
| IE | 9.62 ± 0.00 | eV | NIST |
| IE | 9.62 ± 0.00 | eV | NIST |
| IE | 9.61 ± 0.01 | eV | NIST |
| IE | 9.61 ± 0.02 | eV | NIST |
| IE | 9.63 ± 0.02 | eV | NIST |
| IE | 9.64 | eV | NIST |
| IE | 9.61 ± 0.02 | eV | NIST |
| IE | 9.64 | eV | NIST |
| IE | 9.60 | eV | NIST |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 0.004 | Crippen Calculated Property | |
| McVol | 36.310 | ml/mol | McGowan Calculated Property |
| Pc | 6500.00 | kPa | KDB |
| Tboil | 232.00 | K | KDB |
| Tc | 380.00 | K | KDB |
| Tfus | 138.00 | K | KDB |
| Vc | 0.145 | m3/kmol | KDB |
| Zc | 0.2983050 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [46.15; 58.19] | J/mol×K | [231.83; 379.79] |
|
| Cp,gas | 46.15 | J/mol×K | 231.83 | Joback Calculated Property |
| Cp,gas | 48.38 | J/mol×K | 256.49 | Joback Calculated Property |
| Cp,gas | 50.52 | J/mol×K | 281.15 | Joback Calculated Property |
| Cp,gas | 52.57 | J/mol×K | 305.81 | Joback Calculated Property |
| Cp,gas | 54.53 | J/mol×K | 330.47 | Joback Calculated Property |
| Cp,gas | 56.40 | J/mol×K | 355.13 | Joback Calculated Property |
| Cp,gas | 58.19 | J/mol×K | 379.79 | Joback Calculated Property |
| ΔvapH | [20.40; 20.63] | kJ/mol | [191.50; 232.00] |
|
| ΔvapH | 20.40 ± 0.10 | kJ/mol | 191.50 | NIST |
| ΔvapH | 20.63 | kJ/mol | 232.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [159.45; 239.59] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44321e+01 | |||
| Coefficient B | -2.05785e+03 | |||
| Coefficient C | -1.39620e+01 | |||
| Temperature range, min. | 159.45 | |||
| Temperature range, max. | 239.59 | |||
| Pvap | 1.33 | kPa | 159.45 | Calculated Property |
| Pvap | 3.01 | kPa | 168.35 | Calculated Property |
| Pvap | 6.24 | kPa | 177.26 | Calculated Property |
| Pvap | 11.96 | kPa | 186.16 | Calculated Property |
| Pvap | 21.53 | kPa | 195.07 | Calculated Property |
| Pvap | 36.67 | kPa | 203.97 | Calculated Property |
| Pvap | 59.55 | kPa | 212.88 | Calculated Property |
| Pvap | 92.76 | kPa | 221.78 | Calculated Property |
| Pvap | 139.33 | kPa | 230.69 | Calculated Property |
| Pvap | 202.68 | kPa | 239.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Ketene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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