- InChI
- InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+
- InChI Key
- UVKXJAUUKPDDNW-NSCUHMNNSA-N
- Formula
- C5H7N
- SMILES
- CC=CCC#N
- Molecular Weight1
- 81.12
- CAS
- 16529-66-1
- Other Names
-
- (E)-3-Pentenenitrile
- 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 | -3048.80 ± 1.20 | kJ/mol | NIST |
| ΔfG° | 204.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 126.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | 81.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.80; 45.00] | kJ/mol |
|
| ΔvapH° | 44.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 45.00 | kJ/mol | NIST |
| ΔvapH° | 44.80 | kJ/mol | NIST |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 418.70 | K | NIST |
| Tc | 620.58 | K | Joback Calculated Property |
| Tfus | 206.02 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.82; 175.70] | J/mol×K | [420.04; 620.58] |
|
| Cp,gas | 136.82 | J/mol×K | 420.04 | Joback Calculated Property |
| Cp,gas | 144.23 | J/mol×K | 453.46 | Joback Calculated Property |
| Cp,gas | 151.25 | J/mol×K | 486.89 | Joback Calculated Property |
| Cp,gas | 157.88 | J/mol×K | 520.31 | Joback Calculated Property |
| Cp,gas | 164.16 | J/mol×K | 553.73 | Joback Calculated Property |
| Cp,gas | 170.09 | J/mol×K | 587.15 | Joback Calculated Property |
| Cp,gas | 175.70 | J/mol×K | 620.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenenitrile, (3E)-.
Sources
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