- InChI
- InChI=1S/C10H18O3/c1-8(2)6-7-13-10(12)5-4-9(3)11/h8H,4-7H2,1-3H3
- InChI Key
- NYIALINCMIXBSP-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- CC(=O)CCC(=O)OCCC(C)C
- Molecular Weight1
- 186.25
- CAS
- 71172-75-3
- Other Names
-
- Isopentyl levulinate
- Pentanoic acid, 4-oxo-, 3-methylbutyl ester
- 3-methylbutyl 4-oxopentanoate
- 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° | -331.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.945 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1284.00; 1284.00] |
|
|
| Inp | 1284.00 | NIST | |
| Inp | 1284.00 | NIST | |
| I | [1807.00; 1807.00] |
|
|
| I | 1807.00 | NIST | |
| I | 1807.00 | NIST | |
| Tboil | 557.92 | K | Joback Calculated Property |
| Tc | 742.33 | K | Joback Calculated Property |
| Tfus | 309.55 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.55; 463.74] | J/mol×K | [557.92; 742.33] |
|
| Cp,gas | 390.55 | J/mol×K | 557.92 | Joback Calculated Property |
| Cp,gas | 404.21 | J/mol×K | 588.66 | Joback Calculated Property |
| Cp,gas | 417.28 | J/mol×K | 619.39 | Joback Calculated Property |
| Cp,gas | 429.76 | J/mol×K | 650.13 | Joback Calculated Property |
| Cp,gas | 441.66 | J/mol×K | 680.86 | Joback Calculated Property |
| Cp,gas | 452.99 | J/mol×K | 711.60 | Joback Calculated Property |
| Cp,gas | 463.74 | J/mol×K | 742.33 | Joback Calculated Property |
| η | [0.0002218; 0.0034308] | Pa×s | [309.55; 557.92] |
|
| η | 0.0034308 | Pa×s | 309.55 | Joback Calculated Property |
| η | 0.0016605 | Pa×s | 350.95 | Joback Calculated Property |
| η | 0.0009367 | Pa×s | 392.34 | Joback Calculated Property |
| η | 0.0005894 | Pa×s | 433.74 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 475.13 | Joback Calculated Property |
| η | 0.0002916 | Pa×s | 516.53 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 557.92 | Joback Calculated Property |
| ΔvapH | [56.30; 59.40] | kJ/mol | [461.00; 462.00] |
|
| ΔvapH | 56.30 | kJ/mol | 461.00 | NIST |
| ΔvapH | 59.40 | kJ/mol | 462.00 | NIST |
Similar Compounds
Find more compounds similar to iso-Amyl levulinate.
Sources
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