- InChI
- InChI=1S/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3
- InChI Key
- NLFIMXLLXGTDME-UHFFFAOYSA-N
- Formula
- C6H9NO2
- SMILES
- CCCOC(=O)CC#N
- Molecular Weight1
- 127.14
- CAS
- 14447-15-5
- Other Names
-
- Acetic acid, cyano-, propyl ester
- propyl 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 | 0.5379 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.853 | Crippen Calculated Property | |
| McVol | 104.220 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Tboil | 492.91 | K | Relay (1.0) Calculated Property |
| Tc | 650.38 | K | Relay (1.0) Calculated Property |
| Tfus | 297.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.28; 269.17] | J/mol×K | [515.05; 713.00] | 
|
| Cp,gas | 223.28 | J/mol×K | 515.05 | Joback Calculated Property |
| Cp,gas | 231.80 | J/mol×K | 548.04 | Joback Calculated Property |
| Cp,gas | 239.97 | J/mol×K | 581.03 | Joback Calculated Property |
| Cp,gas | 247.80 | J/mol×K | 614.02 | Joback Calculated Property |
| Cp,gas | 255.27 | J/mol×K | 647.01 | Joback Calculated Property |
| Cp,gas | 262.40 | J/mol×K | 680.01 | Joback Calculated Property |
| Cp,gas | 269.17 | J/mol×K | 713.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Propyl cyanoacetate.
Sources
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