- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.67; 480.77] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.74750e+01 | |||
| Coefficient B | 7.76040e-01 | |||
| Coefficient C | -3.52500e-04 | |||
| Coefficient D | 2.97600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 337.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 371.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 400.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 426.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 447.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 466.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 480.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041953; 0.0002948] | Pa×s | [283.45; 488.38] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18022e+01 | |||
| Coefficient B | 1.79379e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 283.45 | |||
| Temperature range, max. | 488.38 | |||
| η | 0.0041953 | Pa×s | 283.45 | Calculated Property |
| η | 0.0026206 | Pa×s | 306.22 | Calculated Property |
| η | 0.0017471 | Pa×s | 328.99 | Calculated Property |
| η | 0.0012275 | Pa×s | 351.76 | Calculated Property |
| η | 0.0009003 | Pa×s | 374.53 | Calculated Property |
| η | 0.0006842 | Pa×s | 397.30 | Calculated Property |
| η | 0.0005357 | Pa×s | 420.07 | Calculated Property |
| η | 0.0004301 | Pa×s | 442.84 | Calculated Property |
| η | 0.0003528 | Pa×s | 465.61 | Calculated Property |
| η | 0.0002948 | Pa×s | 488.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Levulinic acid, butyl ester.
Sources
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