Chemical Properties of Propanenitrile (CAS 107-12-0)

Propanenitrile

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
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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
Δcliquid [-1948.30; -1918.00] kJ/mol Show Hide
Δcliquid -1948.30 ± 0.54 kJ/mol NIST
Δcliquid -1918.00 kJ/mol NIST
μ 3.70 debye KDB
EA 0.02 ± 0.00 eV NIST
Δf 96.21 kJ/mol KDB
Δfgas [50.66; 51.46] kJ/mol Show Hide
Δfgas 50.66 kJ/mol KDB
Δfgas 51.46 kJ/mol NIST
Δfliquid 15.50 kJ/mol NIST
Δfus 5.03 kJ/mol Joback Calculated Property
Δvap [36.00; 37.10] kJ/mol Show Hide
Δvap 36.19 kJ/mol NIST
Δvap 37.10 ± 0.30 kJ/mol NIST
Δvap 36.00 kJ/mol NIST
Δvap 36.00 kJ/mol NIST
Δvap 36.03 ± 0.02 kJ/mol NIST
Δvap 36.70 ± 0.30 kJ/mol NIST
IE [11.50; 11.90] eV Show Hide
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]   Show Hide
log10WS 0.28 Aq. Solubility Prediction
log10WS 0.28 Estimated Solubility
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 Show Hide
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]   Show Hide
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]   Show Hide
I 1023.00 NIST
I 1046.00 NIST
I 1015.00 NIST
liquid 189.33 J/mol×K NIST
Tboil [365.00; 391.70] K Show Hide
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 Show Hide
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 Show Hide
Tfus 180.26 K KDB
Tfus 180.59 K Aq. Solubility Prediction
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] Show Hide
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] Show Hide
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] Show Hide
η 0.0004107 Pa×s 298.15 Molecular interaction studies and theoretical estimation of ultrasonic speeds using scaled particle theory in binary mixtures of toluene with homologous nitriles at different temperatures
η 0.0003991 Pa×s 303.15 Molecular interaction studies and theoretical estimation of ultrasonic speeds using scaled particle theory in binary mixtures of toluene with homologous nitriles at different temperatures
η 0.0003822 Pa×s 308.15 Molecular interaction studies and theoretical estimation of ultrasonic speeds using scaled particle theory in binary mixtures of toluene with homologous nitriles at different temperatures
ΔfusH [5.03; 17.07] kJ/mol [177.00; 180.40] Show Hide
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] Show Hide
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] Show Hide
Pvap 9.47 kPa 307.78 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 10.59 kPa 309.38 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 11.55 kPa 311.56 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 11.90 kPa 312.50 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 11.90 kPa 312.58 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 12.50 kPa 313.15 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 12.55 kPa 313.15 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 14.14 kPa 315.89 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 15.71 kPa 318.35 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 17.22 kPa 320.51 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 17.40 kPa 322.00 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 18.58 kPa 322.25 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
Pvap 19.22 kPa 323.15 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 21.35 kPa 325.74 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 21.46 kPa 325.79 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
Pvap 23.64 kPa 328.27 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 26.11 kPa 330.82 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 27.73 kPa 332.31 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
Pvap 28.57 kPa 333.15 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 31.64 kPa 335.82 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 34.61 kPa 338.22 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 37.95 kPa 340.70 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
Pvap 41.33 kPa 343.08 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 46.11 kPa 346.17 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
Pvap 49.32 kPa 348.09 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 50.91 kPa 349.02 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
Pvap 54.93 kPa 351.26 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
Pvap 58.60 kPa 353.15 Vapor-Liquid Equilibrium for Acetonitrile + Propanenitrile and 1-Pentanamine + 1-Methoxy-2-propanol
Pvap 59.51 kPa 353.63 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
Pvap 64.72 kPa 356.17 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
Pvap 69.60 kPa 358.33 Phase equilibrium measurements for systems containing propanenitrile with tert-butyl ethyl ether and C4-hydrocarbons
Pvap 69.91 kPa 358.53 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
Pvap 75.34 kPa 360.86 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
Pvap 80.76 kPa 363.02 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
Pvap 80.66 kPa 363.10 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
Pvap 84.93 kPa 364.69 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
Pvap 91.88 kPa 367.21 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
Pvap 96.66 kPa 368.88 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
Pvap 103.78 kPa 371.23 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
n0 [1.36330; 1.36368]   [298.15; 298.15] Show Hide
n0 1.36330 298.15 Excess molar volumes and partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and p = 0.1 MPa
n0 1.36368 298.15 Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa
ρl [776.70; 782.00] kg/m3 [293.00; 298.15] Show Hide
ρl 782.00 kg/m3 293.00 KDB
ρl 776.70 kg/m3 298.15 Speed of sound as a function of temperature and pressure for propane derivatives
ρl 777.69 kg/m3 298.15 Calorimetric Study of Nitrile Group-Solvent Interactions and Comparison with Dispersive Quasi-Chemical (DISQUAC) Predictions
ΔfusS [9.67; 27.91] J/mol×K [177.00; 180.40] Show Hide
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] Show Hide
γ 0.03 N/m 293.20 KDB
γ 0.03 N/m 298.15 Concentration Dependence of Surface Tension for Very Dilute Aqueous Solutions of Organic Non-Electrolytes
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 Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42491e+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 Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.95302e+01
Coefficient B-6.51183e+03
Coefficient C-8.13958e+00
Coefficient D6.11437e-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

Propanenitrile-25. 2-Cyanoethyl radical. 1-Cyanoethyl radical. Butanedinitrile. CHCH2CH3. 1,1-Dicyanoethane. Propane. Propane-2-13c. CH3CD2CH3. n-Propyl radical. Propane-d8. Propanenitrile, 3-bromo-. CH3CHClCN. Propanoyl. Propanenitrile, 3-chloro-.

Find more compounds similar to Propanenitrile.

Mixtures

Find more mixtures with Propanenitrile.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.