- InChI
- InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+
- InChI Key
- KTMGNAIGXYODKQ-VOTSOKGWSA-N
- Formula
- C8H11NO3
- SMILES
- CCOC=C(C#N)C(=O)OCC
- Molecular Weight1
- 169.18
- CAS
- 94-05-3
- Other Names
-
- Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester
- Ethyl «alpha»-(ethoxymethylene)-«alpha»-cyanoacetate
- Ethyl (ethoxymethylene)cyanoacetate
- Ethyl cyano(ethoxymethylene)acetate
- Ethyl 2-cyano-3-ethoxyacrylate
- Ethyl 3-ethoxy-2-cyanoacrylate
- 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester
- Ethyl 2-cyano-3-ethoxy-2-propenoate
- NSC 27797
- ω : Acentric Factor.
- 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).
- 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 | 0.5653 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.993 | Crippen Calculated Property | |
| McVol | 133.970 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Tboil | 518.10 | K | Relay (1.0) Calculated Property |
| Tc | 675.21 | K | Relay (1.0) Calculated Property |
| Tfus | 291.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.20; 365.89] | J/mol×K | [587.27; 789.84] | 
|
| Cp,gas | 312.20 | J/mol×K | 587.27 | Joback Calculated Property |
| Cp,gas | 322.34 | J/mol×K | 621.03 | Joback Calculated Property |
| Cp,gas | 332.00 | J/mol×K | 654.79 | Joback Calculated Property |
| Cp,gas | 341.19 | J/mol×K | 688.56 | Joback Calculated Property |
| Cp,gas | 349.89 | J/mol×K | 722.32 | Joback Calculated Property |
| Cp,gas | 358.13 | J/mol×K | 756.08 | Joback Calculated Property |
| Cp,gas | 365.89 | J/mol×K | 789.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 463.70 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester.
Sources
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