- InChI
- InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
- InChI Key
- NWOKVFOTWMZMHL-UHFFFAOYSA-N
- Formula
- C7H9NO3
- SMILES
- CCOC(=O)C(C#N)C(C)=O
- Molecular Weight1
- 155.15
- CAS
- 634-55-9
- Other Names
-
- Ethyl a-cyanoacetoacetate
- Ethyl «alpha»-cyanoacetoacetate
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid 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 | 0.4909 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3504.00 | kJ/mol | NIST |
| ΔfG° | -224.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -536.80 | kJ/mol | NIST |
| ΔfusH° | 16.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.278 | Crippen Calculated Property | |
| McVol | 119.880 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Tboil | 505.66 | K | Relay (1.0) Calculated Property |
| Tc | 678.12 | K | Relay (1.0) Calculated Property |
| Tfus | 358.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.23; 324.52] | J/mol×K | [591.36; 798.81] | 
|
| Cp,gas | 277.23 | J/mol×K | 591.36 | Joback Calculated Property |
| Cp,gas | 286.29 | J/mol×K | 625.94 | Joback Calculated Property |
| Cp,gas | 294.87 | J/mol×K | 660.51 | Joback Calculated Property |
| Cp,gas | 302.99 | J/mol×K | 695.09 | Joback Calculated Property |
| Cp,gas | 310.64 | J/mol×K | 729.66 | Joback Calculated Property |
| Cp,gas | 317.82 | J/mol×K | 764.24 | Joback Calculated Property |
| Cp,gas | 324.52 | J/mol×K | 798.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.00 ± 1.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Ethyl 2-cyanoacetoacetate.
Sources
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