- InChI
- InChI=1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3
- InChI Key
- PZMDAADKKAXROL-UHFFFAOYSA-N
- Formula
- C8H11NO2
- SMILES
- CCOC(=O)C(C#N)=C(C)C
- Molecular Weight1
- 153.18
- CAS
- 759-58-0
- Other Names
-
- Crotonic acid, 2-cyano-3-methyl-, ethyl ester
- Ethyl 2-cyano-3-methylcrotonate
- Ethyl isopropylidene(cyano)acetate
- 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 | 0.4810 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Tboil | 491.01 | K | Relay (1.0) Calculated Property |
| Tc | 678.52 | K | Relay (1.0) Calculated Property |
| Tfus | 320.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.19; 342.49] | J/mol×K | [546.86; 752.54] | 
|
| Cp,gas | 287.19 | J/mol×K | 546.86 | Joback Calculated Property |
| Cp,gas | 297.82 | J/mol×K | 581.14 | Joback Calculated Property |
| Cp,gas | 307.85 | J/mol×K | 615.42 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 649.70 | Joback Calculated Property |
| Cp,gas | 326.24 | J/mol×K | 683.98 | Joback Calculated Property |
| Cp,gas | 334.62 | J/mol×K | 718.26 | Joback Calculated Property |
| Cp,gas | 342.49 | J/mol×K | 752.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [371.70; 394.50] | K | [0.10; 2.70] |
|
| Tboilr | 371.70 | K | 0.10 | NIST |
| Tboilr | 394.50 ± 1.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-cyano-3-methyl-, ethyl ester.
Sources
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