- InChI
- InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3
- InChI Key
- UVKXJAUUKPDDNW-UHFFFAOYSA-N
- Formula
- C5H7N
- SMILES
- CC=CCC#N
- Molecular Weight1
- 81.12
- CAS
- 4635-87-4
- Other Names
-
- 1-cyano-2-butene
- 2-cyano-2-butene
- 2-methyl-2-butenenitrile
- 3-Pentenonitrile
- crotyl cyanide
- pent-3-enenitrile
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 204.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 135.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.16 | kJ/mol | Joback Calculated Property |
| log10WS | -0.96 | Aq. Sol... | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 78.390 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 418.50 ± 1.50 | 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 |
| Pvap | [7.59; 100.00] | kPa | [339.24; 417.51] |
|
| Pvap | 7.59 | kPa | 339.24 | Vapour ... |
| Pvap | 9.49 | kPa | 344.85 | Vapour ... |
| Pvap | 13.48 | kPa | 353.91 | Vapour ... |
| Pvap | 18.32 | kPa | 362.45 | Vapour ... |
| Pvap | 50.00 | kPa | 367.43 | Isobari... |
| Pvap | 22.91 | kPa | 368.92 | Vapour ... |
| Pvap | 28.80 | kPa | 375.61 | Vapour ... |
| Pvap | 35.37 | kPa | 382.01 | Vapour ... |
| Pvap | 40.09 | kPa | 386.13 | Vapour ... |
| Pvap | 42.83 | kPa | 388.17 | Vapour ... |
| Pvap | 47.08 | kPa | 391.42 | Vapour ... |
| Pvap | 100.00 | kPa | 392.75 | Isobari... |
| Pvap | 51.62 | kPa | 394.31 | Vapour ... |
| Pvap | 57.83 | kPa | 398.64 | Vapour ... |
| Pvap | 65.49 | kPa | 402.51 | Vapour ... |
| Pvap | 74.49 | kPa | 407.31 | Vapour ... |
| Pvap | 80.01 | kPa | 409.72 | Vapour ... |
| Pvap | 86.78 | kPa | 412.88 | Vapour ... |
| Pvap | 90.50 | kPa | 414.32 | Vapour ... |
| Pvap | 97.90 | kPa | 417.51 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [309.80; 445.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46705e+01 | |||
| Coefficient B | -3.62892e+03 | |||
| Coefficient C | -5.74930e+01 | |||
| Temperature range, min. | 309.80 | |||
| Temperature range, max. | 445.24 | |||
| Pvap | 1.33 | kPa | 309.80 | Calculated Property |
| Pvap | 3.00 | kPa | 324.85 | Calculated Property |
| Pvap | 6.17 | kPa | 339.90 | Calculated Property |
| Pvap | 11.83 | kPa | 354.95 | Calculated Property |
| Pvap | 21.29 | kPa | 370.00 | Calculated Property |
| Pvap | 36.29 | kPa | 385.04 | Calculated Property |
| Pvap | 59.04 | kPa | 400.09 | Calculated Property |
| Pvap | 92.20 | kPa | 415.14 | Calculated Property |
| Pvap | 138.89 | kPa | 430.19 | Calculated Property |
| Pvap | 202.67 | kPa | 445.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentenenitrile.
Mixtures
Sources
- Crippen Method
- Vapour pressures and isobaric (vapour + liquid) equilibrium data for the binary system of (RS-4-vinyl-1-cyclohexene + ZE-3-pentenenitrile) at (50.0 and 100.0) kPa
- Isobaric Vapor Liquid Equilibria for Binary Mixtures of Z,E-2-Methyl-2-butenenitrile, R,S-4-Vinyl-1-cyclohexene, and Z,E-3-Pentenenitrile
- Vapor-Liquid Equilibrium for Binary Mixtures of 3-Cyano-1-butene + RS-4-Vinyl-1-cyclohexene, 3-Cyano-1-butene + ZE-1-Cyano-2-butene and RS-4-Vinyl-1-cyclohexene + ZE-1-Cyano-2-butene
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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