- InChI
- InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3
- InChI Key
- DLZVZNAPRCRXEG-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- COC(=O)CCC=O
- Molecular Weight1
- 116.12
- CAS
- 13865-19-5
- Other Names
-
- methyl 4-oxobutyrate
- 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° | -342.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.60 | kJ/mol | Joback Calculated Property |
| log10WS | -0.06 | Crippen Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Tboil | 438.75 | K | Joback Calculated Property |
| Tc | 624.44 | K | Joback Calculated Property |
| Tfus | 260.27 | K | Joback Calculated Property |
| Vc | 0.356 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.53; 220.95] | J/mol×K | [438.75; 624.44] | 
|
| Cp,gas | 178.53 | J/mol×K | 438.75 | Joback Calculated Property |
| Cp,gas | 186.26 | J/mol×K | 469.70 | Joback Calculated Property |
| Cp,gas | 193.74 | J/mol×K | 500.65 | Joback Calculated Property |
| Cp,gas | 200.94 | J/mol×K | 531.59 | Joback Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 562.54 | Joback Calculated Property |
| Cp,gas | 214.56 | J/mol×K | 593.49 | Joback Calculated Property |
| Cp,gas | 220.95 | J/mol×K | 624.44 | Joback Calculated Property |
| η | [0.0003511; 0.0028608] | Pa×s | [260.27; 438.75] |
|
| η | 0.0028608 | Pa×s | 260.27 | Joback Calculated Property |
| η | 0.0016857 | Pa×s | 290.02 | Joback Calculated Property |
| η | 0.0010960 | Pa×s | 319.76 | Joback Calculated Property |
| η | 0.0007668 | Pa×s | 349.51 | Joback Calculated Property |
| η | 0.0005674 | Pa×s | 379.26 | Joback Calculated Property |
| η | 0.0004386 | Pa×s | 409.00 | Joback Calculated Property |
| η | 0.0003511 | Pa×s | 438.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinaldehydic acid, methyl ester.
Sources
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