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
  • Ether cyanatus
  • Ethylkyanid
  • Hydrocyanic ether
  • NSC 7966
  • Propanenitrile (propionitrile)
  • Propannitril
  • Propionic nitrile
  • Propiononitrile
  • Propylnitrile
  • Rcra waste number P101
  • UN 2404
  • cyanoethane
  • ethanecarbonitrile
  • ethyl cyanide
  • n-Propanenitrile
  • propanonitrile
  • propionitrile
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Physical Properties

Property Value Unit Source
ω [0.3130; 0.3243]   Show Hide
ω 0.3180 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.3243 ChemSep v8.3 pure component data Compiled value
ω 0.3130 KDB
PAff 794.10 kJ/mol NIST
BasG 763.00 kJ/mol NIST
ΔcH°liquid [-1948.30; -1918.00] kJ/mol Show Hide
ΔcH°liquid -1948.30 ± 0.54 kJ/mol NIST
ΔcH°liquid -1918.00 kJ/mol NIST
μ [3.70; 4.02] debye Show Hide
μ 4.02 debye ChemSep v8.3 pure component data Compiled value
μ 3.70 debye KDB
EA 0.02 ± 0.00 eV NIST
ΔfG° [96.21; 97.49] kJ/mol Show Hide
ΔfG° 97.49 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 96.21 kJ/mol KDB
ΔfH°gas [50.66; 51.50] kJ/mol Show Hide
ΔfH°gas 51.50 kJ/mol ChemSep v8.3 pure component data Compiled value
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 Show Hide
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 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 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Pc 4184.72 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 4180.00 kPa ChemSep v8.3 pure component data Compiled value
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
Ptriple 1.69e-04 kPa ChemSep v8.3 pure component data Compiled value
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 554.00 NIST
Inp 524.00 NIST
Inp Outlier 580.00 NIST
Ip [1015.00; 1046.00]   Show Hide
Ip 1023.00 NIST
Ip 1046.00 NIST
Ip 1015.00 NIST
S°liquid 189.33 J/mol×K NIST
Tboil [365.00; 391.70] K Show Hide
Tboil 370.50 K ChemSep v8.3 pure component data Compiled value
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; 564.40] K Show Hide
Tc 561.30 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tc 564.40 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 564.40 K ChemSep v8.3 pure component data Compiled value
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 180.35 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 180.26 K ChemSep v8.3 pure component data Compiled value
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 [180.26; 180.37] K Show Hide
Ttriple 180.26 K ChemSep v8.3 pure component data Compiled value
Ttriple 180.37 ± 0.02 K NIST
Ttriple 180.37 ± 0.02 K NIST
UQi 2.26 ChemSep v8.3 pure component data Compiled value
URi 2.54 ChemSep v8.3 pure component data Compiled value
Vc [0.229; 0.246] m3/kmol Show Hide
Vc 0.246 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Vc 0.230 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.229 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.229 m3/kmol KDB
Zc [0.2040000; 0.2250000]   Show Hide
Zc 0.2250000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Zc 0.2040000 ChemSep v8.3 pure component data Compiled value
Zc 0.2090320 KDB
Zra 0.22 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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 36.12 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; 121.10] J/mol×K [298.15; 298.15] Show Hide
ΔvapS 121.10 J/mol×K 298.15 NIST
ΔvapS 121.10 J/mol×K 298.15 NIST

Datasets

Isobaric coefficient of expansion, 1/K

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Isobaric coefficient of expansion, 1/K - Liquid
278.15 5000.00 0.0012
278.15 10000.00 0.0012
278.15 15000.00 0.0012
278.15 20000.00 0.0011
278.15 25000.00 0.0011
278.15 30000.00 0.0011
278.15 35000.00 0.0011
278.15 40000.00 0.0010
278.15 45000.00 0.0010
278.15 50000.00 0.0010
278.15 55000.00 0.0010
288.15 5000.00 0.0013
288.15 10000.00 0.0012
288.15 15000.00 0.0012
288.15 20000.00 0.0011
288.15 25000.00 0.0011
288.15 30000.00 0.0011
288.15 35000.00 0.0011
288.15 40000.00 0.0010
288.15 45000.00 0.0010
288.15 50000.00 0.0010
288.15 55000.00 0.0010
298.15 5000.00 0.0013
298.15 10000.00 0.0012
298.15 15000.00 0.0012
298.15 20000.00 0.0012
298.15 25000.00 0.0011
298.15 30000.00 0.0011
298.15 35000.00 0.0011
298.15 40000.00 0.0011
298.15 45000.00 0.0010
298.15 50000.00 0.0010
298.15 55000.00 0.0010
308.15 5000.00 0.0013
308.15 10000.00 0.0013
308.15 15000.00 0.0012
308.15 20000.00 0.0012
308.15 25000.00 0.0011
308.15 30000.00 0.0011
308.15 35000.00 0.0011
308.15 40000.00 0.0011
308.15 45000.00 0.0010
308.15 50000.00 0.0010
308.15 55000.00 0.0010
318.15 5000.00 0.0013
318.15 10000.00 0.0013
318.15 15000.00 0.0012
318.15 20000.00 0.0012
318.15 25000.00 0.0012
318.15 30000.00 0.0011
318.15 35000.00 0.0011
318.15 40000.00 0.0011
318.15 45000.00 0.0010
318.15 50000.00 0.0010
318.15 55000.00 0.0010
328.15 5000.00 0.0014
328.15 10000.00 0.0013
328.15 15000.00 0.0013
328.15 20000.00 0.0012
328.15 25000.00 0.0012
328.15 30000.00 0.0011
328.15 35000.00 0.0011
328.15 40000.00 0.0011
328.15 45000.00 0.0010
328.15 50000.00 0.0010
328.15 55000.00 0.0010
338.15 5000.00 0.0014
338.15 10000.00 0.0014
338.15 15000.00 0.0013
338.15 20000.00 0.0012
338.15 25000.00 0.0012
338.15 30000.00 0.0012
338.15 35000.00 0.0011
338.15 40000.00 0.0011
338.15 45000.00 0.0010
338.15 50000.00 0.0010
338.15 55000.00 0.0010
348.15 5000.00 0.0015
348.15 10000.00 0.0014
348.15 15000.00 0.0013
348.15 20000.00 0.0013
348.15 25000.00 0.0012
348.15 30000.00 0.0012
348.15 35000.00 0.0011
348.15 40000.00 0.0011
348.15 45000.00 0.0011
348.15 50000.00 0.0010
348.15 55000.00 0.0010
Reference

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [58.19; 172.39] J/mol×K [200.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.79470e+01
Coefficient B-5.44830e+02
Coefficient C5.00224e+00
Coefficient D2.60050e-04
Coefficient E-9.12330e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 58.19 J/mol×K 200.00 Calculated Property
Cp,gas 81.04 J/mol×K 344.44 Calculated Property
Cp,gas 102.17 J/mol×K 488.89 Calculated Property
Cp,gas 119.48 J/mol×K 633.33 Calculated Property
Cp,gas 133.47 J/mol×K 777.78 Calculated Property
Cp,gas 144.85 J/mol×K 922.22 Calculated Property
Cp,gas 154.12 J/mol×K 1066.67 Calculated Property
Cp,gas 161.64 J/mol×K 1211.11 Calculated Property
Cp,gas 167.67 J/mol×K 1355.56 Calculated Property
Cp,gas 172.39 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [110.03; 131.32] J/mol×K [180.26; 370.50] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.05770e+02
Coefficient B1.54890e+02
Coefficient C-2.32346e+00
Coefficient D1.83290e-02
Coefficient E-1.19840e-05
Temperature range, min.180.26
Temperature range, max.370.50
Cp,liquid 110.03 J/mol×K 180.26 Calculated Property
Cp,liquid 110.98 J/mol×K 201.40 Calculated Property
Cp,liquid 112.18 J/mol×K 222.54 Calculated Property
Cp,liquid 113.67 J/mol×K 243.67 Calculated Property
Cp,liquid 115.50 J/mol×K 264.81 Calculated Property
Cp,liquid 117.71 J/mol×K 285.95 Calculated Property
Cp,liquid 120.35 J/mol×K 307.09 Calculated Property
Cp,liquid 123.47 J/mol×K 328.22 Calculated Property
Cp,liquid 127.11 J/mol×K 349.36 Calculated Property
Cp,liquid 131.32 J/mol×K 370.50 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0007368; 0.0001223] Pa×s [250.00; 464.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-8.09580e+00
Coefficient B7.75570e+02
Coefficient C-3.93000e-01
Coefficient D-7.96240e-07
Coefficient E2.00000e+00
Temperature range, min.250.00
Temperature range, max.464.00
η 0.0007368 Pa×s 250.00 Calculated Property
η 0.0005377 Pa×s 273.78 Calculated Property
η 0.0004105 Pa×s 297.56 Calculated Property
η 0.0003246 Pa×s 321.33 Calculated Property
η 0.0002639 Pa×s 345.11 Calculated Property
η 0.0002194 Pa×s 368.89 Calculated Property
η 0.0001858 Pa×s 392.67 Calculated Property
η 0.0001597 Pa×s 416.44 Calculated Property
η 0.0001391 Pa×s 440.22 Calculated Property
η 0.0001223 Pa×s 464.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [42.51; 0.00] kJ/mol [180.26; 564.40] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A3.63326e+01
Coefficient B-2.10722e+00
Coefficient C8.01313e+00
Coefficient D-9.74751e+00
Coefficient E4.11425e+00
Critical temperature, Tc (K)5.64400e+02
Temperature range, min.180.26
Temperature range, max.564.40
ΔvapH 42.51 kJ/mol 180.26 Calculated Property
ΔvapH 40.36 kJ/mol 222.94 Calculated Property
ΔvapH 37.89 kJ/mol 265.62 Calculated Property
ΔvapH 35.43 kJ/mol 308.31 Calculated Property
ΔvapH 33.10 kJ/mol 350.99 Calculated Property
ΔvapH 30.89 kJ/mol 393.67 Calculated Property
ΔvapH 28.53 kJ/mol 436.35 Calculated Property
ΔvapH 25.49 kJ/mol 479.04 Calculated Property
ΔvapH 20.56 kJ/mol 521.72 Calculated Property
ΔvapH 0.00 kJ/mol 564.40 Calculated Property
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(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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 [1.79e-04; 4191.21] kPa [180.26; 564.40] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A7.46932e+01
Coefficient B-6.64680e+03
Coefficient C-8.98820e+00
Coefficient D7.44430e-06
Coefficient E2.00000e+00
Temperature range, min.180.26
Temperature range, max.564.40
Pvap 1.79e-04 kPa 180.26 Calculated Property
Pvap 0.04 kPa 222.94 Calculated Property
Pvap 1.02 kPa 265.62 Calculated Property
Pvap 10.27 kPa 308.31 Calculated Property
Pvap 54.34 kPa 350.99 Calculated Property
Pvap 191.27 kPa 393.67 Calculated Property
Pvap 514.77 kPa 436.35 Calculated Property
Pvap 1156.32 kPa 479.04 Calculated Property
Pvap 2296.12 kPa 521.72 Calculated Property
Pvap 4191.21 kPa 564.40 Calculated Property
Pvap [1.71e-04; 4315.21] kPa [180.26; 564.40] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A6.95302e+01
Coefficient B-6.51183e+03
Coefficient C-8.13958e+00
Coefficient D6.11437e-06
Coefficient E0.00000e+00
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
Pvap [10.23; 100.65] kPa [308.70; 370.50] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.29344e+01
Coefficient B-2.38645e+03
Coefficient C-8.37600e+01
ReferenceDreisbach and Shrader, 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.308.70
Temperature range, max.370.50
Pvap 10.23 kPa 308.70 Calculated Property
Pvap 14.00 kPa 315.57 Calculated Property
Pvap 18.83 kPa 322.43 Calculated Property
Pvap 24.91 kPa 329.30 Calculated Property
Pvap 32.45 kPa 336.17 Calculated Property
Pvap 41.68 kPa 343.03 Calculated Property
Pvap 52.85 kPa 349.90 Calculated Property
Pvap 66.22 kPa 356.77 Calculated Property
Pvap 82.06 kPa 363.63 Calculated Property
Pvap 100.65 kPa 370.50 Calculated Property
Property Value Unit Temperature (K) Source
ρl [880.69; 225.09] kg/m3 [180.26; 564.40] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A4.97684e+01
Coefficient B2.21100e-01
Coefficient C5.64400e+02
Coefficient D2.62460e-01
Temperature range, min.180.26
Temperature range, max.564.40
ρl 880.69 kg/m3 180.26 Calculated Property
ρl 844.87 kg/m3 222.94 Calculated Property
ρl 807.24 kg/m3 265.62 Calculated Property
ρl 767.38 kg/m3 308.31 Calculated Property
ρl 724.64 kg/m3 350.99 Calculated Property
ρl 678.02 kg/m3 393.67 Calculated Property
ρl 625.77 kg/m3 436.35 Calculated Property
ρl 564.40 kg/m3 479.04 Calculated Property
ρl 484.38 kg/m3 521.72 Calculated Property
ρl 225.09 kg/m3 564.40 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.02] N/m [180.35; 370.35] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A6.11242e-02
Coefficient B-1.15300e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.180.35
Temperature range, max.370.35
γ 0.04 N/m 180.35 Calculated Property
γ 0.04 N/m 201.46 Calculated Property
γ 0.04 N/m 222.57 Calculated Property
γ 0.03 N/m 243.68 Calculated Property
γ 0.03 N/m 264.79 Calculated Property
γ 0.03 N/m 285.91 Calculated Property
γ 0.03 N/m 307.02 Calculated Property
γ 0.02 N/m 328.13 Calculated Property
γ 0.02 N/m 349.24 Calculated Property
γ 0.02 N/m 370.35 Calculated Property
γ [0.04; 1.32e-05] N/m [180.26; 562.48] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.80190e-02
Coefficient B2.82070e+01
Coefficient C-2.88980e+00
Coefficient D1.23390e-04
Coefficient E-3.93620e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 564.4 K.
Temperature range, min.180.26
Temperature range, max.562.48
γ 0.04 N/m 180.26 Calculated Property
γ 0.04 N/m 222.73 Calculated Property
γ 0.03 N/m 265.20 Calculated Property
γ 0.03 N/m 307.67 Calculated Property
γ 0.02 N/m 350.14 Calculated Property
γ 0.02 N/m 392.60 Calculated Property
γ 0.01 N/m 435.07 Calculated Property
γ 0.01 N/m 477.54 Calculated Property
γ 0.00 N/m 520.01 Calculated Property
γ 1.32e-05 N/m 562.48 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.11] W/m×K [180.26; 990.50] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A4.88710e-04
Coefficient B1.32700e+00
Coefficient C4.30420e+04
Coefficient D-3.22670e+06
Temperature range, min.180.26
Temperature range, max.990.50
λgas 0.00 W/m×K 180.26 Calculated Property
λgas 0.01 W/m×K 270.29 Calculated Property
λgas 0.01 W/m×K 360.31 Calculated Property
λgas 0.02 W/m×K 450.34 Calculated Property
λgas 0.03 W/m×K 540.37 Calculated Property
λgas 0.04 W/m×K 630.39 Calculated Property
λgas 0.06 W/m×K 720.42 Calculated Property
λgas 0.07 W/m×K 810.45 Calculated Property
λgas 0.09 W/m×K 900.47 Calculated Property
λgas 0.11 W/m×K 990.50 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.21; 0.14] W/m×K [180.26; 413.15] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A1.38460e-01
Coefficient B2.64520e+03
Coefficient C-3.71770e+01
Coefficient D1.50780e-01
Coefficient E-2.25980e-04
Temperature range, min.180.26
Temperature range, max.413.15
λliquid 0.21 W/m×K 180.26 Calculated Property
λliquid 0.20 W/m×K 206.14 Calculated Property
λliquid 0.19 W/m×K 232.01 Calculated Property
λliquid 0.19 W/m×K 257.89 Calculated Property
λliquid 0.18 W/m×K 283.77 Calculated Property
λliquid 0.17 W/m×K 309.64 Calculated Property
λliquid 0.15 W/m×K 335.52 Calculated Property
λliquid 0.15 W/m×K 361.40 Calculated Property
λliquid 0.14 W/m×K 387.27 Calculated Property
λliquid 0.14 W/m×K 413.15 Calculated Property

Similar Compounds

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

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Mixtures

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Sources

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