- InChI
- InChI=1S/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
- InChI Key
- NFIWUVRBASXMGK-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CC(=O)C(C)CC(=O)O
- Molecular Weight1
- 130.14
- CAS
- 6628-79-1
- Other Names
-
- 3-Methyl-4-oxopentanoic acid
- Levulinic acid, 3-methyl
- 3-Methyllevulinic acid
- 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 | 0.6518 | Relay (1.0) Calculated Property | |
| ΔfG° | -397.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.686 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| Tboil | 482.13 | K | Relay (1.0) Calculated Property |
| Tc | 676.98 | K | Relay (1.0) Calculated Property |
| Tfus | 327.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.83; 281.66] | J/mol×K | [536.16; 720.16] | 
|
| Cp,gas | 236.83 | J/mol×K | 536.16 | Joback Calculated Property |
| Cp,gas | 245.27 | J/mol×K | 566.83 | Joback Calculated Property |
| Cp,gas | 253.30 | J/mol×K | 597.49 | Joback Calculated Property |
| Cp,gas | 260.95 | J/mol×K | 628.16 | Joback Calculated Property |
| Cp,gas | 268.22 | J/mol×K | 658.83 | Joback Calculated Property |
| Cp,gas | 275.12 | J/mol×K | 689.50 | Joback Calculated Property |
| Cp,gas | 281.66 | J/mol×K | 720.16 | Joback Calculated Property |
| η | [0.0001647; 0.0145779] | Pa×s | [303.06; 536.16] |
|
| η | 0.0145779 | Pa×s | 303.06 | Joback Calculated Property |
| η | 0.0045167 | Pa×s | 341.91 | Joback Calculated Property |
| η | 0.0017774 | Pa×s | 380.76 | Joback Calculated Property |
| η | 0.0008313 | Pa×s | 419.61 | Joback Calculated Property |
| η | 0.0004422 | Pa×s | 458.46 | Joback Calculated Property |
| η | 0.0002596 | Pa×s | 497.31 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 536.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 3-methyl-4-oxo-.
Sources
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