- InChI
- InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
- InChI Key
- ISBWNEKJSSLXOD-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- CCCCOC(=O)CCC(C)=O
- Molecular Weight1
- 172.22
- 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 | 0.6042 | Relay (1.0) Calculated Property | |
| ΔfG° | -414.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.699 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Tboil | 500.54 | K | Relay (1.0) Calculated Property |
| Tc | 672.31 | K | Relay (1.0) Calculated Property |
| Tfus | 244.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.85; 407.43] | J/mol×K | [517.61; 697.69] | 
|
| Cp,gas | 338.85 | J/mol×K | 517.61 | Joback Calculated Property |
| Cp,gas | 351.63 | J/mol×K | 547.62 | Joback Calculated Property |
| Cp,gas | 363.86 | J/mol×K | 577.64 | Joback Calculated Property |
| Cp,gas | 375.56 | J/mol×K | 607.65 | Joback Calculated Property |
| Cp,gas | 386.71 | J/mol×K | 637.66 | Joback Calculated Property |
| Cp,gas | 397.33 | J/mol×K | 667.67 | Joback Calculated Property |
| Cp,gas | 407.43 | J/mol×K | 697.69 | Joback Calculated Property |
| η | [0.0002396; 0.0041953] | Pa×s | [283.45; 517.61] |
|
| η | 0.0041953 | Pa×s | 283.45 | Joback Calculated Property |
| η | 0.0019505 | Pa×s | 322.48 | Joback Calculated Property |
| η | 0.0010699 | Pa×s | 361.50 | Joback Calculated Property |
| η | 0.0006597 | Pa×s | 400.53 | Joback Calculated Property |
| η | 0.0004433 | Pa×s | 439.56 | Joback Calculated Property |
| η | 0.0003178 | Pa×s | 478.58 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 517.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Levulinic acid, butyl ester.
Sources
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