- InChI
- InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
- InChI Key
- WETOYPNHZMSVFZ-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- CC(=O)CCC(=O)OCC(C)C
- Molecular Weight1
- 172.22
- CAS
- 3757-32-2
- Other Names
-
- iso-Butyl levulinate
- isobutyl 4-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.5765 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.555 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | 1183.00 | NIST | |
| I | 1696.00 | NIST | |
| Tboil | 495.58 | K | Relay (1.0) Calculated Property |
| Tc | 659.02 | K | Relay (1.0) Calculated Property |
| Tfus | 258.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.82; 412.73] | J/mol×K | [535.04; 721.50] | 
|
| Cp,gas | 343.82 | J/mol×K | 535.04 | Joback Calculated Property |
| Cp,gas | 356.65 | J/mol×K | 566.12 | Joback Calculated Property |
| Cp,gas | 368.94 | J/mol×K | 597.19 | Joback Calculated Property |
| Cp,gas | 380.69 | J/mol×K | 628.27 | Joback Calculated Property |
| Cp,gas | 391.90 | J/mol×K | 659.35 | Joback Calculated Property |
| Cp,gas | 402.58 | J/mol×K | 690.42 | Joback Calculated Property |
| Cp,gas | 412.73 | J/mol×K | 721.50 | Joback Calculated Property |
| η | [0.0002429; 0.0035617] | Pa×s | [298.28; 535.04] |
|
| η | 0.0035617 | Pa×s | 298.28 | Joback Calculated Property |
| η | 0.0017528 | Pa×s | 337.74 | Joback Calculated Property |
| η | 0.0010005 | Pa×s | 377.20 | Joback Calculated Property |
| η | 0.0006351 | Pa×s | 416.66 | Joback Calculated Property |
| η | 0.0004361 | Pa×s | 456.12 | Joback Calculated Property |
| η | 0.0003180 | Pa×s | 495.58 | Joback Calculated Property |
| η | 0.0002429 | Pa×s | 535.04 | Joback Calculated Property |
| ΔvapH | [54.70; 61.50] | kJ/mol | [420.50; 444.00] |
|
| ΔvapH | 61.50 | kJ/mol | 420.50 | NIST |
| ΔvapH | 54.70 | kJ/mol | 444.00 | NIST |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-, 2-methylpropyl ester.
Sources
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