- InChI
- InChI=1S/C8H12O3/c1-3-6-11-8(10)5-4-7(2)9/h3H,1,4-6H2,2H3
- InChI Key
- NETFSRNRGBJVMU-UHFFFAOYSA-N
- Formula
- C8H12O3
- SMILES
- C=CCOC(=O)CCC(C)=O
- Molecular Weight1
- 156.18
- CAS
- 1070-35-5
- Other Names
-
- Levulinic acid, 2-propenyl ester
- 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).
- 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 | 0.5159 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.085 | Crippen Calculated Property | |
| McVol | 128.290 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [1114.00; 1115.00] |
|
|
| Inp | 1114.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1114.00 | NIST | |
| I | [1694.00; 1743.00] |
|
|
| I | 1694.00 | NIST | |
| I | 1743.00 | NIST | |
| Tboil | 486.87 | K | Relay (1.0) Calculated Property |
| Tc | 660.06 | K | Relay (1.0) Calculated Property |
| Tfus | 237.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.56; 339.15] | J/mol×K | [509.28; 697.68] |
|
| Cp,gas | 280.56 | J/mol×K | 509.28 | Joback Calculated Property |
| Cp,gas | 291.49 | J/mol×K | 540.68 | Joback Calculated Property |
| Cp,gas | 301.95 | J/mol×K | 572.08 | Joback Calculated Property |
| Cp,gas | 311.94 | J/mol×K | 603.48 | Joback Calculated Property |
| Cp,gas | 321.46 | J/mol×K | 634.88 | Joback Calculated Property |
| Cp,gas | 330.53 | J/mol×K | 666.28 | Joback Calculated Property |
| Cp,gas | 339.15 | J/mol×K | 697.68 | Joback Calculated Property |
| η | [0.0002840; 0.0025755] | Pa×s | [300.25; 509.28] |
|
| η | 0.0025755 | Pa×s | 300.25 | Joback Calculated Property |
| η | 0.0014733 | Pa×s | 335.09 | Joback Calculated Property |
| η | 0.0009363 | Pa×s | 369.93 | Joback Calculated Property |
| η | 0.0006433 | Pa×s | 404.76 | Joback Calculated Property |
| η | 0.0004691 | Pa×s | 439.60 | Joback Calculated Property |
| η | 0.0003583 | Pa×s | 474.44 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 509.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl levulinate.
Sources
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