- InChI
- InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
- InChI Key
- VLLHEPHWWIDUSS-ONEGZZNKSA-N
- Formula
- C5H8O2
- SMILES
- COC=CC(C)=O
- Molecular Weight1
- 100.12
- CAS
- 51731-17-0
- Other Names
-
- (E)-4-methoxy-3-buten-2-one
- 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).
- 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° | -162.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.84 | kJ/mol | Joback Calculated Property |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.735 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 473.20 | K | NIST |
| Tc | 582.22 | K | Joback Calculated Property |
| Tfus | 213.19 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.24; 192.07] | J/mol×K | [394.25; 582.22] | 
|
| Cp,gas | 148.24 | J/mol×K | 394.25 | Joback Calculated Property |
| Cp,gas | 156.32 | J/mol×K | 425.58 | Joback Calculated Property |
| Cp,gas | 164.08 | J/mol×K | 456.91 | Joback Calculated Property |
| Cp,gas | 171.53 | J/mol×K | 488.23 | Joback Calculated Property |
| Cp,gas | 178.67 | J/mol×K | 519.56 | Joback Calculated Property |
| Cp,gas | 185.52 | J/mol×K | 550.89 | Joback Calculated Property |
| Cp,gas | 192.07 | J/mol×K | 582.22 | Joback Calculated Property |
| η | [0.0002253; 0.0025463] | Pa×s | [213.19; 394.25] |
|
| η | 0.0025463 | Pa×s | 213.19 | Joback Calculated Property |
| η | 0.0013230 | Pa×s | 243.37 | Joback Calculated Property |
| η | 0.0007942 | Pa×s | 273.54 | Joback Calculated Property |
| η | 0.0005276 | Pa×s | 303.72 | Joback Calculated Property |
| η | 0.0003774 | Pa×s | 333.90 | Joback Calculated Property |
| η | 0.0002854 | Pa×s | 364.07 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 394.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-4-Methoxy-3-buten-2-one.
Sources
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