- InChI
- InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
- InChI Key
- MSMGXWFHBSCQFB-UHFFFAOYSA-N
- Formula
- C4H5NO2
- SMILES
- CCOC(=O)C#N
- Molecular Weight1
- 99.09
- CAS
- 623-49-4
- Other Names
-
- Formic acid, cyano-, ethyl ester
- Ethyl cyanoformate
- C2H5OC(O)CN
- Cyanoformic acid, ethyl ester
- NCCOOC2H5
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 745.70 | kJ/mol | NIST |
| BasG | 714.70 | kJ/mol | NIST |
| ΔfG° | -117.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.23 | Crippen Calculated Property | |
| logPoct/wat | 0.073 | Crippen Calculated Property | |
| McVol | 76.040 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Inp | 750.00 | NIST | |
| Tboil | 388.70 | K | NIST |
| Tc | 672.61 | K | Joback Calculated Property |
| Tfus | 271.99 | K | Joback Calculated Property |
| Vc | 0.309 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.06; 176.83] | J/mol×K | [469.29; 672.61] | 
|
| Cp,gas | 145.06 | J/mol×K | 469.29 | Joback Calculated Property |
| Cp,gas | 150.86 | J/mol×K | 503.18 | Joback Calculated Property |
| Cp,gas | 156.48 | J/mol×K | 537.06 | Joback Calculated Property |
| Cp,gas | 161.89 | J/mol×K | 570.95 | Joback Calculated Property |
| Cp,gas | 167.09 | J/mol×K | 604.84 | Joback Calculated Property |
| Cp,gas | 172.07 | J/mol×K | 638.73 | Joback Calculated Property |
| Cp,gas | 176.83 | J/mol×K | 672.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonocyanidic acid, ethyl ester.
Sources
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