- InChI
- InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3
- InChI Key
- YMCDYRGMTRCAPZ-UHFFFAOYSA-N
- Formula
- C8H12O4
- SMILES
- CCOC(=O)C(C(C)=O)C(C)=O
- Molecular Weight1
- 172.18
- CAS
- 603-69-0
- Other Names
-
- Acetoacetic acid, 2-acetyl-, ethyl ester
- Butanoic acid, 2-acetyl-3-oxo-, ethyl ester
- Ethyl 2-acetylacetoacetate
- Ethyl diacetylacetate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.4949 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4073.50 | kJ/mol | NIST |
| ΔfG° | -554.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -789.50 | kJ/mol | NIST |
| ΔfusH° | 20.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.344 | Crippen Calculated Property | |
| McVol | 134.160 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Tboil | 491.78 | K | Relay (1.0) Calculated Property |
| Tc | 680.15 | K | Relay (1.0) Calculated Property |
| Tfus | 285.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.73; 371.02] | J/mol×K | [548.16; 742.81] | 
|
| Cp,gas | 311.73 | J/mol×K | 548.16 | Joback Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 580.60 | Joback Calculated Property |
| Cp,gas | 333.74 | J/mol×K | 613.04 | Joback Calculated Property |
| Cp,gas | 343.90 | J/mol×K | 645.48 | Joback Calculated Property |
| Cp,gas | 353.50 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 362.54 | J/mol×K | 710.37 | Joback Calculated Property |
| Cp,gas | 371.02 | J/mol×K | 742.81 | Joback Calculated Property |
| η | [0.0002562; 0.0043857] | Pa×s | [307.11; 548.16] |
|
| η | 0.0043857 | Pa×s | 307.11 | Joback Calculated Property |
| η | 0.0020775 | Pa×s | 347.29 | Joback Calculated Property |
| η | 0.0011490 | Pa×s | 387.46 | Joback Calculated Property |
| η | 0.0007103 | Pa×s | 427.63 | Joback Calculated Property |
| η | 0.0004769 | Pa×s | 467.81 | Joback Calculated Property |
| η | 0.0003410 | Pa×s | 507.98 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 548.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [377.00; 377.20] | K | [2.10; 2.10] |
|
| Tboilr | 377.20 | K | 2.10 | NIST |
| Tboilr | 377.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to Ethyl diacetoacetate.
Sources
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