- InChI
- InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
- InChI Key
- PJCCSZUMZMCWSX-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- COC(CC(C)=O)OC
- Molecular Weight1
- 132.16
- CAS
- 5436-21-5
- Other Names
-
- Acetoacetaldehyde, 1-(dimethyl acetal)
- «beta»-Oxobutyraldehyde dimethyl acetal
- Acetoacetaldehyde dimethyl acetal
- Acetylacetaldehyde dimethyl acetal
- 1,1-Dimethoxy-3-butanone
- 3-Ketobutyraldehyde dimethylacetal
- 3-Oxobutyraldehyde dimethyl acetal
- 4,4-Dimethoxy-2-butanone
- Acetylacetaldehyddimethylacetal
- Formylacetone dimethyl acetal
- 3-Oxobutyraldehyde 1-(dimethylacetal)
- NSC 21538
- NSC 59721
- 4,4-dimethoxybutanone
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -341.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.40 | Crippen Calculated Property | |
| logPoct/wat | 0.584 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Inp | [855.00; 866.00] |
|
|
| Inp | 855.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 855.00 | NIST | |
| Tboil | 434.95 | K | Joback Calculated Property |
| Tc | 616.32 | K | Joback Calculated Property |
| Tfus | 236.77 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.96; 277.74] | J/mol×K | [434.95; 616.32] |
|
| Cp,gas | 221.96 | J/mol×K | 434.95 | Joback Calculated Property |
| Cp,gas | 231.96 | J/mol×K | 465.18 | Joback Calculated Property |
| Cp,gas | 241.69 | J/mol×K | 495.41 | Joback Calculated Property |
| Cp,gas | 251.15 | J/mol×K | 525.64 | Joback Calculated Property |
| Cp,gas | 260.32 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 269.18 | J/mol×K | 586.09 | Joback Calculated Property |
| Cp,gas | 277.74 | J/mol×K | 616.32 | Joback Calculated Property |
| η | [0.0002290; 0.0034104] | Pa×s | [236.77; 434.95] |
|
| η | 0.0034104 | Pa×s | 236.77 | Joback Calculated Property |
| η | 0.0016505 | Pa×s | 269.80 | Joback Calculated Property |
| η | 0.0009358 | Pa×s | 302.83 | Joback Calculated Property |
| η | 0.0005932 | Pa×s | 335.86 | Joback Calculated Property |
| η | 0.0004081 | Pa×s | 368.89 | Joback Calculated Property |
| η | 0.0002985 | Pa×s | 401.92 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 434.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.70 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 4,4-dimethoxy-.
Sources
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