- InChI
- InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
- InChI Key
- ZNYBQVBNSXLZNI-UHFFFAOYSA-N
- Formula
- C11H19NO2
- SMILES
- CCCCC(CC)COC(=O)CC#N
- Molecular Weight1
- 197.27
- CAS
- 13361-34-7
- Other Names
-
- Cyanoacetic acid, 2-ethylhexyl ester
- 2-Ethylhexyl cyanoacetate
- Ethylhexyl cyanoacetate
- 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).
- 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 | 0.6662 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.660 | Crippen Calculated Property | |
| McVol | 174.670 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Tboil | 555.54 | K | Relay (1.0) Calculated Property |
| Tc | 725.12 | K | Relay (1.0) Calculated Property |
| Tfus | 258.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.31; 523.87] | J/mol×K | [629.01; 818.64] | 
|
| Cp,gas | 453.31 | J/mol×K | 629.01 | Joback Calculated Property |
| Cp,gas | 466.64 | J/mol×K | 660.61 | Joback Calculated Property |
| Cp,gas | 479.33 | J/mol×K | 692.22 | Joback Calculated Property |
| Cp,gas | 491.38 | J/mol×K | 723.82 | Joback Calculated Property |
| Cp,gas | 502.82 | J/mol×K | 755.43 | Joback Calculated Property |
| Cp,gas | 513.65 | J/mol×K | 787.03 | Joback Calculated Property |
| Cp,gas | 523.87 | J/mol×K | 818.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, cyano-, 2-ethylhexyl ester.
Sources
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