- InChI
- InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3
- InChI Key
- XJMIXEAZMCTAGH-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CCC(=O)CC(=O)OC
- Molecular Weight1
- 130.14
- CAS
- 30414-53-0
- Other Names
-
- Valeric acid, 3-oxo-, methyl ester
- Methyl «beta»-ketovalerate
- Methyl 3-oxopentanoate
- Methyl propionylacetate
- Methyl 3-oxo-n-valerate
- 3-oxopentanoic acid methyl ester
- methyl 3-oxovalerate
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.4594 | Relay (1.0) Calculated Property | |
| ΔfG° | -363.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| I | [1522.00; 1522.00] |
|
|
| I | 1522.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1522.00 | NIST | |
| Tboil | 441.45 | K | Relay (1.0) Calculated Property |
| Tc | 622.45 | K | Relay (1.0) Calculated Property |
| Tfus | 266.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.00; 265.88] | J/mol×K | [466.84; 655.65] |
|
| Cp,gas | 215.00 | J/mol×K | 466.84 | Joback Calculated Property |
| Cp,gas | 224.34 | J/mol×K | 498.31 | Joback Calculated Property |
| Cp,gas | 233.35 | J/mol×K | 529.78 | Joback Calculated Property |
| Cp,gas | 242.00 | J/mol×K | 561.25 | Joback Calculated Property |
| Cp,gas | 250.31 | J/mol×K | 592.71 | Joback Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 655.65 | Joback Calculated Property |
| η | [0.0003147; 0.0026736] | Pa×s | [279.47; 466.84] |
|
| η | 0.0026736 | Pa×s | 279.47 | Joback Calculated Property |
| η | 0.0015646 | Pa×s | 310.70 | Joback Calculated Property |
| η | 0.0010097 | Pa×s | 341.93 | Joback Calculated Property |
| η | 0.0007012 | Pa×s | 373.16 | Joback Calculated Property |
| η | 0.0005151 | Pa×s | 404.38 | Joback Calculated Property |
| η | 0.0003956 | Pa×s | 435.61 | Joback Calculated Property |
| η | 0.0003147 | Pa×s | 466.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 346.70 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to Pentanoic acid, 3-oxo-, methyl ester.
Sources
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