- InChI
- InChI=1S/C6H12O2/c1-5(2)6(7-3)8-4/h1-4H3
- InChI Key
- XRKJKGHUGRBZRE-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- COC(OC)=C(C)C
- Molecular Weight1
- 116.16
- CAS
- 5634-54-8
- 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° | -147.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.89 | 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 | 3206.41 | kPa | Joback Calculated Property |
| Tboil | 385.44 | K | Joback Calculated Property |
| Tc | 566.35 | K | Joback Calculated Property |
| Tfus | 168.84 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.96; 245.60] | J/mol×K | [385.44; 566.35] | 
|
| Cp,gas | 189.96 | J/mol×K | 385.44 | Joback Calculated Property |
| Cp,gas | 199.99 | J/mol×K | 415.59 | Joback Calculated Property |
| Cp,gas | 209.72 | J/mol×K | 445.74 | Joback Calculated Property |
| Cp,gas | 219.14 | J/mol×K | 475.89 | Joback Calculated Property |
| Cp,gas | 228.26 | J/mol×K | 506.05 | Joback Calculated Property |
| Cp,gas | 237.08 | J/mol×K | 536.20 | Joback Calculated Property |
| Cp,gas | 245.60 | J/mol×K | 566.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ketene, dimethyl-, dimethyl acetal.
Sources
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