- InChI
- InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
- InChI Key
- KQWWVLVLVYYYDT-UHFFFAOYSA-N
- Formula
- C8H14O3
- SMILES
- CCCC(=O)CC(=O)OCC
- Molecular Weight1
- 158.19
- CAS
- 3249-68-1
- Other Names
-
- Ethyl «alpha»-butyrylacetate
- Ethyl butyroacetate
- Ethyl butyrylacetate
- Ethyl 3-oxohexanoate
- 3-Keto-n-hexanoic acid ethyl 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5324 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.309 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | 467.26 | K | Relay (1.0) Calculated Property |
| Tc | 655.03 | K | Relay (1.0) Calculated Property |
| Tfus | 255.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.52; 358.24] | J/mol×K | [494.73; 676.61] | 
|
| Cp,gas | 294.52 | J/mol×K | 494.73 | Joback Calculated Property |
| Cp,gas | 306.37 | J/mol×K | 525.04 | Joback Calculated Property |
| Cp,gas | 317.72 | J/mol×K | 555.36 | Joback Calculated Property |
| Cp,gas | 328.59 | J/mol×K | 585.67 | Joback Calculated Property |
| Cp,gas | 338.96 | J/mol×K | 615.98 | Joback Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 646.29 | Joback Calculated Property |
| Cp,gas | 358.24 | J/mol×K | 676.61 | Joback Calculated Property |
| η | [0.0002606; 0.0043237] | Pa×s | [272.18; 494.73] |
|
| η | 0.0043237 | Pa×s | 272.18 | Joback Calculated Property |
| η | 0.0020446 | Pa×s | 309.27 | Joback Calculated Property |
| η | 0.0011350 | Pa×s | 346.36 | Joback Calculated Property |
| η | 0.0007061 | Pa×s | 383.45 | Joback Calculated Property |
| η | 0.0004776 | Pa×s | 420.55 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 457.64 | Joback Calculated Property |
| η | 0.0002606 | Pa×s | 494.73 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.20 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3-oxo-, ethyl ester.
Sources
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