- InChI
- InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3
- InChI Key
- WPYUCWSMVJJWFI-UHFFFAOYSA-N
- Formula
- C4H7NO
- SMILES
- CCOCC#N
- Molecular Weight1
- 85.10
- CAS
- 62957-60-2
- Other Names
-
- Ethoxyacetonitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-2462.70; -2458.50] | kJ/mol |
|
| ΔcH°liquid | -2458.50 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -2462.70 ± 0.60 | kJ/mol | NIST |
| ΔfG° | 10.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -69.50 ± 0.56 | kJ/mol | NIST |
| ΔfH°liquid | [-116.00; -111.70] | kJ/mol |
|
| ΔfH°liquid | -116.00 ± 0.50 | kJ/mol | NIST |
| ΔfH°liquid | -111.70 ± 0.60 | kJ/mol | NIST |
| ΔfusH° | 8.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.48; 46.50] | kJ/mol |
|
| ΔvapH° | 46.48 ± 0.25 | kJ/mol | NIST |
| ΔvapH° | 46.50 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.45 | Crippen Calculated Property | |
| logPoct/wat | 0.546 | Crippen Calculated Property | |
| McVol | 74.470 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 415.42 | K | Joback Calculated Property |
| Tc | 607.19 | K | Joback Calculated Property |
| Tfus | 222.06 | K | Joback Calculated Property |
| Vc | 0.303 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.15; 172.21] | J/mol×K | [415.42; 607.19] |
|
| Cp,gas | 137.15 | J/mol×K | 415.42 | Joback Calculated Property |
| Cp,gas | 143.44 | J/mol×K | 447.38 | Joback Calculated Property |
| Cp,gas | 149.56 | J/mol×K | 479.34 | Joback Calculated Property |
| Cp,gas | 155.51 | J/mol×K | 511.31 | Joback Calculated Property |
| Cp,gas | 161.26 | J/mol×K | 543.27 | Joback Calculated Property |
| Cp,gas | 166.84 | J/mol×K | 575.23 | Joback Calculated Property |
| Cp,gas | 172.21 | J/mol×K | 607.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, ethoxy-.
Sources
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