- InChI
- InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
- InChI Key
- VTGIVYVOVVQLRL-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- C=C(OCC)OCC
- Molecular Weight1
- 116.16
- 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).
- 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° | -131.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.18 | kJ/mol | Joback Calculated Property |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.531 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Tboil | 378.08 | K | Joback Calculated Property |
| Tc | 550.11 | K | Joback Calculated Property |
| Tfus | 186.12 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.57; 243.79] | J/mol×K | [378.08; 550.11] | 
|
| Cp,gas | 190.57 | J/mol×K | 378.08 | Joback Calculated Property |
| Cp,gas | 200.04 | J/mol×K | 406.75 | Joback Calculated Property |
| Cp,gas | 209.27 | J/mol×K | 435.42 | Joback Calculated Property |
| Cp,gas | 218.27 | J/mol×K | 464.10 | Joback Calculated Property |
| Cp,gas | 227.03 | J/mol×K | 492.77 | Joback Calculated Property |
| Cp,gas | 235.54 | J/mol×K | 521.44 | Joback Calculated Property |
| Cp,gas | 243.79 | J/mol×K | 550.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ketene, diethyl acetal.
Sources
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