- InChI
- InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3
- InChI Key
- NLDFWNCRMVSDMC-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- CCCCCOC(=O)CCC(C)=O
- Molecular Weight1
- 186.25
- CAS
- 20279-49-6
- Other Names
-
- n-Amyl levulinate
- Pentyl 4-oxopentanoate
- Pentyl levulinate
- Levulinic acid, pentyl ester
- pentyl 4-oxovalerate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -329.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.089 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1324.00; 1325.00] |
|
|
| Inp | 1325.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1324.00 | NIST | |
| I | [1860.00; 1860.00] |
|
|
| I | 1860.00 | NIST | |
| I | 1860.00 | NIST | |
| Tboil | 558.36 | K | Joback Calculated Property |
| Tc | 739.30 | K | Joback Calculated Property |
| Tfus | 324.55 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.21; 461.96] | J/mol×K | [558.36; 739.30] |
|
| Cp,gas | 390.21 | J/mol×K | 558.36 | Joback Calculated Property |
| Cp,gas | 403.56 | J/mol×K | 588.52 | Joback Calculated Property |
| Cp,gas | 416.35 | J/mol×K | 618.67 | Joback Calculated Property |
| Cp,gas | 428.57 | J/mol×K | 648.83 | Joback Calculated Property |
| Cp,gas | 440.25 | J/mol×K | 678.99 | Joback Calculated Property |
| Cp,gas | 451.38 | J/mol×K | 709.15 | Joback Calculated Property |
| Cp,gas | 461.96 | J/mol×K | 739.30 | Joback Calculated Property |
| η | [0.0002364; 0.0026272] | Pa×s | [324.55; 558.36] |
|
| η | 0.0026272 | Pa×s | 324.55 | Joback Calculated Property |
| η | 0.0014182 | Pa×s | 363.52 | Joback Calculated Property |
| η | 0.0008627 | Pa×s | 402.49 | Joback Calculated Property |
| η | 0.0005729 | Pa×s | 441.46 | Joback Calculated Property |
| η | 0.0004066 | Pa×s | 480.42 | Joback Calculated Property |
| η | 0.0003038 | Pa×s | 519.39 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 558.36 | Joback Calculated Property |
| ΔvapH | [56.20; 66.30] | kJ/mol | [440.50; 466.00] |
|
| ΔvapH | 66.30 | kJ/mol | 440.50 | NIST |
| ΔvapH | 56.20 | kJ/mol | 466.00 | NIST |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-, pentyl ester.
Sources
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