- InChI
- InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
- InChI Key
- FOGHPENQGFYWSI-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- CCC(=O)CCC(=O)OC
- Molecular Weight1
- 144.17
- CAS
- 2955-62-6
- Other Names
-
- Methyl homolevulinate
- Methyl 4-oxohexanoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5020 | Relay (1.0) Calculated Property | |
| ΔfG° | -431.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.919 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Tboil | 461.64 | K | Relay (1.0) Calculated Property |
| Tc | 642.27 | K | Relay (1.0) Calculated Property |
| Tfus | 282.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.18; 310.42] | J/mol×K | [471.85; 655.55] | 
|
| Cp,gas | 252.18 | J/mol×K | 471.85 | Joback Calculated Property |
| Cp,gas | 262.99 | J/mol×K | 502.47 | Joback Calculated Property |
| Cp,gas | 273.35 | J/mol×K | 533.08 | Joback Calculated Property |
| Cp,gas | 283.27 | J/mol×K | 563.70 | Joback Calculated Property |
| Cp,gas | 292.76 | J/mol×K | 594.32 | Joback Calculated Property |
| Cp,gas | 301.81 | J/mol×K | 624.94 | Joback Calculated Property |
| Cp,gas | 310.42 | J/mol×K | 655.55 | Joback Calculated Property |
| η | [0.0002803; 0.0043890] | Pa×s | [260.91; 471.85] |
|
| η | 0.0043890 | Pa×s | 260.91 | Joback Calculated Property |
| η | 0.0021136 | Pa×s | 296.07 | Joback Calculated Property |
| η | 0.0011887 | Pa×s | 331.22 | Joback Calculated Property |
| η | 0.0007466 | Pa×s | 366.38 | Joback Calculated Property |
| η | 0.0005087 | Pa×s | 401.54 | Joback Calculated Property |
| η | 0.0003687 | Pa×s | 436.69 | Joback Calculated Property |
| η | 0.0002803 | Pa×s | 471.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 4-oxo-, methyl ester.
Sources
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