- InChI
- InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
- InChI Key
- FVSKHRXBFJPNKK-UHFFFAOYSA-N
- Formula
- C3H5N
- SMILES
- CCC#N
- Molecular Weight1
- 55.08
- CAS
- 107-12-0
- Other Names
-
- C2H5CN
- CYANOETHANE
- ETHER CYANATUS
- Ethyl cyanide
- Ethylkyanid
- HYDROCYANIC ETHER
- NSC 7966
- PROPIONITRILE
- Propannitril
- Propionic nitrile
- Propiononitrile
- Propylnitrile
- Rcra waste number P101
- UN 2404
- ethanecarbonitrile
- n-Propanenitrile
- propanonitrile
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3130 | KDB | |
| PAff | 794.10 | kJ/mol | NIST |
| BasG | 763.00 | kJ/mol | NIST |
| ΔcH°liquid | [-1948.30; -1918.00] | kJ/mol |
|
| ΔcH°liquid | -1948.30 ± 0.54 | kJ/mol | NIST |
| ΔcH°liquid | -1918.00 | kJ/mol | NIST |
| μ | 3.70 | debye | KDB |
| EA | 0.02 ± 0.00 | eV | NIST |
| ΔfG° | 96.21 | kJ/mol | KDB |
| ΔfH°gas | [50.66; 51.46] | kJ/mol |
|
| ΔfH°gas | 50.66 | kJ/mol | KDB |
| ΔfH°gas | 51.46 | kJ/mol | NIST |
| ΔfH°liquid | 15.50 | kJ/mol | NIST |
| ΔfusH° | 5.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.00; 37.10] | kJ/mol |
|
| ΔvapH° | 36.19 | kJ/mol | NIST |
| ΔvapH° | 37.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| ΔvapH° | 36.00 | kJ/mol | NIST |
| ΔvapH° | 36.03 ± 0.02 | kJ/mol | NIST |
| ΔvapH° | 36.70 ± 0.30 | kJ/mol | NIST |
| IE | [11.50; 11.90] | eV |
|
| IE | 11.85 ± 0.02 | eV | NIST |
| IE | Outlier 11.50 ± 0.25 | eV | NIST |
| IE | 11.90 | eV | NIST |
| IE | 11.85 ± 0.01 | eV | NIST |
| IE | 11.85 | eV | NIST |
| IE | 11.84 ± 0.02 | eV | NIST |
| log10WS | [0.28; 0.28] |
|
|
| log10WS | 0.28 | Aq. Sol... | |
| log10WS | 0.28 | Estimat... | |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 54.510 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 4 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | [4174.59; 4260.00] | kPa |
|
| Pc | 4260.00 | kPa | KDB |
| Pc | 4260.00 ± 10.00 | kPa | NIST |
| Pc | 4180.00 ± 91.19 | kPa | NIST |
| Pc | 4174.59 ± 81.06 | kPa | NIST |
| Pc | 4194.85 ± 81.06 | kPa | NIST |
| Inp | [510.00; 592.00] |
|
|
| Inp | 543.33 | NIST | |
| Inp | 543.83 | NIST | |
| Inp | 544.44 | NIST | |
| Inp | 545.05 | NIST | |
| Inp | 545.79 | NIST | |
| Inp | 546.65 | NIST | |
| Inp | 547.65 | NIST | |
| Inp | 548.60 | NIST | |
| Inp | 549.63 | NIST | |
| Inp | 550.75 | NIST | |
| Inp | 543.13 | NIST | |
| Inp | 542.69 | NIST | |
| Inp | 542.41 | NIST | |
| Inp | 542.29 | NIST | |
| Inp | 542.32 | NIST | |
| Inp | 542.38 | NIST | |
| Inp | 542.60 | NIST | |
| Inp | 542.90 | NIST | |
| Inp | Outlier 592.00 | NIST | |
| Inp | 545.30 | NIST | |
| Inp | 523.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 547.00 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | Outlier 510.00 | NIST | |
| Inp | 573.70 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 554.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | 557.00 | NIST | |
| Inp | 544.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | 542.00 | NIST | |
| Inp | 539.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | Outlier 580.00 | NIST | |
| Inp | 554.00 | NIST | |
| I | [1015.00; 1046.00] |
|
|
| I | 1023.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1015.00 | NIST | |
| S°liquid | 189.33 | J/mol×K | NIST |
| Tboil | [365.00; 391.70] | K |
|
| Tboil | 370.29 | K | KDB |
| Tboil | 370.50 | K | NIST |
| Tboil | 371.00 | K | NIST |
| Tboil | 370.45 ± 0.50 | K | NIST |
| Tboil | 370.50 ± 0.30 | K | NIST |
| Tboil | 370.50 ± 0.30 | K | NIST |
| Tboil | 370.00 ± 1.00 | K | NIST |
| Tboil | 370.48 ± 0.20 | K | NIST |
| Tboil | 370.00 ± 1.50 | K | NIST |
| Tboil | 369.00 ± 1.50 | K | NIST |
| Tboil | 371.00 ± 1.50 | K | NIST |
| Tboil | 370.30 ± 0.50 | K | NIST |
| Tboil | 369.70 ± 2.00 | K | NIST |
| Tboil | 370.50 ± 0.07 | K | NIST |
| Tboil | 370.15 ± 1.50 | K | NIST |
| Tboil | Outlier 390.00 ± 3.00 | K | NIST |
| Tboil | 368.00 ± 2.00 | K | NIST |
| Tboil | 370.00 ± 2.00 | K | NIST |
| Tboil | 370.29 ± 0.30 | K | NIST |
| Tboil | 369.80 ± 0.40 | K | NIST |
| Tboil | 370.35 ± 0.30 | K | NIST |
| Tboil | 370.40 ± 0.30 | K | NIST |
| Tboil | 369.00 ± 2.00 | K | NIST |
| Tboil | 370.30 ± 0.50 | K | NIST |
| Tboil | 370.00 ± 0.40 | K | NIST |
| Tboil | 370.00 ± 2.00 | K | NIST |
| Tboil | 370.30 ± 0.30 | K | NIST |
| Tboil | 370.40 ± 0.10 | K | NIST |
| Tboil | 370.40 ± 0.30 | K | NIST |
| Tboil | 365.00 ± 5.00 | K | NIST |
| Tboil | 370.80 ± 0.70 | K | NIST |
| Tboil | 370.80 ± 0.60 | K | NIST |
| Tboil | 371.00 ± 2.00 | K | NIST |
| Tboil | 370.31 ± 0.40 | K | NIST |
| Tboil | 371.40 ± 1.00 | K | NIST |
| Tboil | Outlier 391.70 ± 2.00 | K | NIST |
| Tc | [558.70; 561.30] | K |
|
| Tc | 561.30 | K | KDB |
| Tc | 561.30 ± 0.20 | K | NIST |
| Tc | 558.70 ± 2.00 | K | NIST |
| Tc | 558.85 ± 1.00 | K | NIST |
| Tc | 558.85 ± 1.00 | K | NIST |
| Tfus | [171.15; 182.00] | K |
|
| Tfus | 180.26 | K | KDB |
| Tfus | 180.59 | K | Aq. Sol... |
| Tfus | 180.30 ± 0.60 | K | NIST |
| Tfus | 180.26 ± 0.10 | K | NIST |
| Tfus | 181.15 ± 0.50 | K | NIST |
| Tfus | 182.00 ± 2.00 | K | NIST |
| Tfus | 181.25 ± 0.20 | K | NIST |
| Tfus | Outlier 171.15 ± 6.00 | K | NIST |
| Tfus | 181.30 ± 0.20 | K | NIST |
| Tfus | 181.30 ± 0.20 | K | NIST |
| Ttriple | 180.37 ± 0.02 | K | NIST |
| Vc | 0.229 | m3/kmol | KDB |
| Zc | 0.2090320 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [86.00; 112.00] | J/mol×K | [370.12; 563.45] |
|
| Cp,gas | 86.00 | J/mol×K | 370.12 | Joback Calculated Property |
| Cp,gas | 90.77 | J/mol×K | 402.34 | Joback Calculated Property |
| Cp,gas | 95.36 | J/mol×K | 434.56 | Joback Calculated Property |
| Cp,gas | 99.78 | J/mol×K | 466.78 | Joback Calculated Property |
| Cp,gas | 104.02 | J/mol×K | 499.00 | Joback Calculated Property |
| Cp,gas | 108.09 | J/mol×K | 531.23 | Joback Calculated Property |
| Cp,gas | 112.00 | J/mol×K | 563.45 | Joback Calculated Property |
| Cp,liquid | [105.30; 119.50] | J/mol×K | [297.00; 303.15] |
|
| Cp,liquid | 112.90 | J/mol×K | 297.00 | NIST |
| Cp,liquid | 105.30 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 119.50 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 106.00 | J/mol×K | 303.15 | NIST |
| η | [0.0003822; 0.0004107] | Pa×s | [298.15; 308.15] |
|
| η | 0.0004107 | Pa×s | 298.15 | Molecul... |
| η | 0.0003991 | Pa×s | 303.15 | Molecul... |
| η | 0.0003822 | Pa×s | 308.15 | Molecul... |
| ΔfusH | [5.03; 17.07] | kJ/mol | [177.00; 180.40] |
|
| ΔfusH | 17.07 | kJ/mol | 177.00 | NIST |
| ΔfusH | 5.03 | kJ/mol | 180.40 | NIST |
| ΔfusH | 5.03 | kJ/mol | 180.40 | NIST |
| ΔvapH | [31.81; 36.70] | kJ/mol | [242.00; 371.00] |
|
| ΔvapH | 36.50 | kJ/mol | 242.00 | NIST |
| ΔvapH | 36.12 | kJ/mol | 298.15 | NIST |
| ΔvapH | 36.10 | kJ/mol | 329.50 | NIST |
| ΔvapH | 36.70 | kJ/mol | 335.50 | NIST |
| ΔvapH | 35.90 | kJ/mol | 339.00 | NIST |
| ΔvapH | 32.26 | kJ/mol | 370.30 | KDB |
| ΔvapH | 31.81 | kJ/mol | 371.00 | NIST |
| Pvap | [9.47; 103.78] | kPa | [307.78; 371.23] |
|
| Pvap | 9.47 | kPa | 307.78 | Phase e... |
| Pvap | 10.59 | kPa | 309.38 | Vapor-L... |
| Pvap | 11.55 | kPa | 311.56 | Vapor-L... |
| Pvap | 11.90 | kPa | 312.50 | Phase e... |
| Pvap | 11.90 | kPa | 312.58 | Phase e... |
| Pvap | 12.50 | kPa | 313.15 | Phase e... |
| Pvap | 12.55 | kPa | 313.15 | Vapor-L... |
| Pvap | 14.14 | kPa | 315.89 | Vapor-L... |
| Pvap | 15.71 | kPa | 318.35 | Vapor-L... |
| Pvap | 17.22 | kPa | 320.51 | Vapor-L... |
| Pvap | 17.40 | kPa | 322.00 | Phase e... |
| Pvap | 18.58 | kPa | 322.25 | Vapor L... |
| Pvap | 19.22 | kPa | 323.15 | Vapor-L... |
| Pvap | 21.35 | kPa | 325.74 | Vapor-L... |
| Pvap | 21.46 | kPa | 325.79 | Vapor L... |
| Pvap | 23.64 | kPa | 328.27 | Vapor-L... |
| Pvap | 26.11 | kPa | 330.82 | Vapor-L... |
| Pvap | 27.73 | kPa | 332.31 | Vapor L... |
| Pvap | 28.57 | kPa | 333.15 | Vapor-L... |
| Pvap | 31.64 | kPa | 335.82 | Vapor-L... |
| Pvap | 34.61 | kPa | 338.22 | Vapor-L... |
| Pvap | 37.95 | kPa | 340.70 | Vapor L... |
| Pvap | 41.33 | kPa | 343.08 | Vapor-L... |
| Pvap | 46.11 | kPa | 346.17 | Vapor L... |
| Pvap | 49.32 | kPa | 348.09 | Vapor-L... |
| Pvap | 50.91 | kPa | 349.02 | Vapor L... |
| Pvap | 54.93 | kPa | 351.26 | Vapor L... |
| Pvap | 58.60 | kPa | 353.15 | Vapor-L... |
| Pvap | 59.51 | kPa | 353.63 | Vapor L... |
| Pvap | 64.72 | kPa | 356.17 | Vapor L... |
| Pvap | 69.60 | kPa | 358.33 | Phase e... |
| Pvap | 69.91 | kPa | 358.53 | Vapor L... |
| Pvap | 75.34 | kPa | 360.86 | Vapor L... |
| Pvap | 80.76 | kPa | 363.02 | Vapor L... |
| Pvap | 80.66 | kPa | 363.10 | Vapor L... |
| Pvap | 84.93 | kPa | 364.69 | Vapor L... |
| Pvap | 91.88 | kPa | 367.21 | Vapor L... |
| Pvap | 96.66 | kPa | 368.88 | Vapor L... |
| Pvap | 103.78 | kPa | 371.23 | Vapor L... |
| n0 | [1.36330; 1.36368] | [298.15; 298.15] |
|
|
| n0 | 1.36330 | 298.15 | Excess ... | |
| n0 | 1.36368 | 298.15 | Vapor-L... | |
| ρl | [776.70; 782.00] | kg/m3 | [293.00; 298.15] |
|
| ρl | 782.00 | kg/m3 | 293.00 | KDB |
| ρl | 776.70 | kg/m3 | 298.15 | Speed o... |
| ρl | 777.69 | kg/m3 | 298.15 | Calorim... |
| ΔfusS | [9.67; 27.91] | J/mol×K | [177.00; 180.40] |
|
| ΔfusS | 9.67 | J/mol×K | 177.00 | NIST |
| ΔfusS | 27.91 | J/mol×K | 180.40 | NIST |
| γ | [0.03; 0.03] | N/m | [293.20; 298.15] |
|
| γ | 0.03 | N/m | 293.20 | KDB |
| γ | 0.03 | N/m | 298.15 | Concent... |
| ΔvapS | 121.10 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 4308.85] | kPa | [275.44; 564.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42491e+01 | |||
| Coefficient B | -2.93590e+03 | |||
| Coefficient C | -6.51540e+01 | |||
| Temperature range, min. | 275.44 | |||
| Temperature range, max. | 564.40 | |||
| Pvap | 1.33 | kPa | 275.44 | Calculated Property |
| Pvap | 8.47 | kPa | 307.55 | Calculated Property |
| Pvap | 34.94 | kPa | 339.65 | Calculated Property |
| Pvap | 107.08 | kPa | 371.76 | Calculated Property |
| Pvap | 265.41 | kPa | 403.87 | Calculated Property |
| Pvap | 562.15 | kPa | 435.97 | Calculated Property |
| Pvap | 1056.42 | kPa | 468.08 | Calculated Property |
| Pvap | 1808.77 | kPa | 500.19 | Calculated Property |
| Pvap | 2876.26 | kPa | 532.29 | Calculated Property |
| Pvap | 4308.85 | kPa | 564.40 | Calculated Property |
| Pvap | [1.71e-04; 4315.21] | kPa | [180.26; 564.40] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.95302e+01 | |||
| Coefficient B | -6.51183e+03 | |||
| Coefficient C | -8.13958e+00 | |||
| Coefficient D | 6.11437e-06 | |||
| Temperature range, min. | 180.26 | |||
| Temperature range, max. | 564.40 | |||
| Pvap | 1.71e-04 | kPa | 180.26 | Calculated Property |
| Pvap | 0.03 | kPa | 222.94 | Calculated Property |
| Pvap | 1.01 | kPa | 265.62 | Calculated Property |
| Pvap | 10.40 | kPa | 308.31 | Calculated Property |
| Pvap | 56.07 | kPa | 350.99 | Calculated Property |
| Pvap | 200.01 | kPa | 393.67 | Calculated Property |
| Pvap | 541.92 | kPa | 436.35 | Calculated Property |
| Pvap | 1216.91 | kPa | 479.04 | Calculated Property |
| Pvap | 2398.54 | kPa | 521.72 | Calculated Property |
| Pvap | 4315.21 | kPa | 564.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile.
Mixtures
- Butane + Propanenitrile
- 1-Butene + Propanenitrile
- 1-Propene, 2-methyl- + Propanenitrile
- Propanenitrile + Isobutane
- Propanenitrile + Propane, 2-ethoxy-2-methyl-
- Propanenitrile + Methyl Alcohol
- Ethanol + Propanenitrile
- 1-Propanol + Propanenitrile
- Isopropyl Alcohol + Propanenitrile
- Propanenitrile + 1-Butanol
- Propanenitrile + 1-Pentanol
- Toluene + Propanenitrile
- Acetonitrile + Propanenitrile
- Propanenitrile + Water
- Propanenitrile + 1-Octanol
- Propanenitrile + 1-Decanol
- 1-Undecanol + Propanenitrile
- Butanoic acid, methyl ester + Propanenitrile
- Propanenitrile + Methyl valerate
- Propanenitrile + Hexanoic acid, methyl ester
Find more mixtures with Propanenitrile.
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
- Excess molar volumes and partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and p = 0.1 MPa
- Speed of sound as a function of temperature and pressure for propane derivatives
- Molecular interaction studies and theoretical estimation of ultrasonic speeds using scaled particle theory in binary mixtures of toluene with homologous nitriles at different temperatures
- Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
- Concentration Dependence of Surface Tension for Very Dilute Aqueous Solutions of Organic Non-Electrolytes
- Experimental (Solid + Liquid) and (Liquid + Liquid) Equilibria and Excess Molar Volume of Alkanol + Acetonitrile, Propanenitrile, and Butanenitrile Mixtures
- Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
- Calorimetric Study of Nitrile Group-Solvent Interactions and Comparison with Dispersive Quasi-Chemical (DISQUAC) Predictions
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Vapor Liquid Equilibrium, Excess Molar Enthalpies, and Excess Molar Volumes of Binary Mixtures Containing 2-Ethoxy-2-methylpropane or 2-Ethoxy-2-methylbutane and Acetonitrile or Propanenitrile
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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