Chemical Properties of 2-Propenenitrile (CAS 107-13-1)

2-Propenenitrile

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InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChI Key
NLHHRLWOUZZQLW-UHFFFAOYSA-N
Formula
C3H3N
SMILES
C=CC#N
Molecular Weight1
53.06
CAS
107-13-1
Other Names
  • Acritet
  • Acrylnitril
  • Acrylon
  • Acrylonitrile
  • Acrylonitrile monomer
  • Akrylonitril
  • Akrylonitryl
  • CH2CHCN
  • Carbacryl
  • Cianuro di vinile
  • Cyanoethene
  • Cyanoethylene
  • Cyanure de vinyle
  • ENT 54
  • Fumigrain
  • Miller's fumigrain
  • NSC 6362
  • Nitrile acrilico
  • Nitrile acrylique
  • Propenenitrile
  • Propenitrile
  • Propenonitrile
  • Rcra waste number U009
  • TL 314
  • UN 1093
  • VCN
  • Ventox
  • Vinyl cyanide
  • Vinylkyanid

Physical Properties

Property Value Unit Source
ω 0.3500 KDB
PAff 784.70 kJ/mol NIST
Tig 754.26 K KDB
BasG 753.70 kJ/mol NIST
Δcliquid [-1759.00; -1756.40] kJ/mol Show Hide
Δcliquid -1756.40 ± 0.42 kJ/mol NIST
Δcliquid -1759.00 ± 3.00 kJ/mol NIST
μ 3.50 debye KDB
EA [0.01; 0.01] eV Show Hide
EA 0.01 eV NIST
EA 0.01 eV NIST
LFL 3.05 % in Air KDB
UFL 17.00 % in Air KDB
Tflash,cc 272.59 K KDB
Tflash,oc 272.04 K KDB
Δf 195.40 kJ/mol KDB
Rg 2.4430 KDB
Δfgas [172.60; 185.10] kJ/mol Show Hide
Δfgas 185.10 kJ/mol KDB
Δfgas 172.60 kJ/mol NIST
Δfgas 179.70 kJ/mol NIST
Δfliquid [140.00; 147.10] kJ/mol Show Hide
Δfliquid 140.00 kJ/mol NIST
Δfliquid 147.10 kJ/mol NIST
Δfus 3.75 kJ/mol Joback Calculated Property
Δvap [31.60; 33.00] kJ/mol Show Hide
Δvap 31.60 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
Δvap 32.60 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
IE [10.91; 11.10] eV Show Hide
IE 10.91 ± 0.01 eV NIST
IE 10.91 eV NIST
IE 10.91 eV NIST
IE 10.91 eV NIST
IE 10.91 ± 0.01 eV NIST
IE Outlier 11.10 eV NIST
IE 10.92 ± 0.05 eV NIST
log10WS [0.15; 0.15]   Show Hide
log10WS 0.15 Aq. Sol...
log10WS 0.15 Estimat...
logPoct/wat 0.696 Crippen Calculated Property
McVol 50.210 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 4 KDB
NFPA Safety 2 KDB
Pc [4560.00; 4660.00] kPa Show Hide
Pc 4560.00 kPa KDB
Pc 4660.00 ± 20.00 kPa NIST
Inp [476.00; 544.00]   Show Hide
Inp 540.00 NIST
Inp Outlier 544.00 NIST
Inp 496.40 NIST
Inp 476.00 NIST
Inp 482.00 NIST
Inp 500.00 NIST
Inp 521.10 NIST
Inp 520.00 NIST
Inp 516.00 NIST
Inp 482.00 NIST
Inp 488.00 NIST
Inp 491.00 NIST
Inp 495.00 NIST
Inp 526.00 NIST
Inp 495.00 NIST
Inp 492.00 NIST
Inp 495.00 NIST
Inp 492.00 NIST
Inp 490.00 NIST
Inp 516.00 NIST
Inp 521.10 NIST
I [993.00; 1010.00]   Show Hide
I 993.00 NIST
I 1010.00 NIST
liquid 178.91 J/mol×K NIST
Tboil 350.50 K KDB
Tc [536.00; 540.00] K Show Hide
Tc 536.00 K KDB
Tc 540.00 ± 2.00 K NIST
Tfus [189.40; 191.00] K Show Hide
Tfus 189.40 K Aq. Sol...
Tfus 189.50 K KDB
Tfus 189.55 K NIST
Tfus 189.47 ± 0.20 K NIST
Tfus 189.60 ± 0.10 K NIST
Tfus Outlier 191.00 ± 2.00 K NIST
Ttriple [189.63; 189.63] K Show Hide
Ttriple 189.63 K KDB
Ttriple 189.63 ± 0.01 K NIST
Vc 0.210 m3/kmol KDB
Vm 6.63e-05 m3/mol Activit...
Zc 0.2148730 KDB
Zra 0.23 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [72.94; 93.67] J/mol×K [366.80; 564.51] Show Hide
Cp,gas 72.94 J/mol×K 366.80 Joback Calculated Property
Cp,gas 76.85 J/mol×K 399.75 Joback Calculated Property
Cp,gas 80.57 J/mol×K 432.70 Joback Calculated Property
Cp,gas 84.10 J/mol×K 465.65 Joback Calculated Property
Cp,gas 87.46 J/mol×K 498.60 Joback Calculated Property
Cp,gas 90.64 J/mol×K 531.56 Joback Calculated Property
Cp,gas 93.67 J/mol×K 564.51 Joback Calculated Property
Cp,liquid [98.70; 113.00] J/mol×K [297.00; 298.15] Show Hide
Cp,liquid 106.70 J/mol×K 297.00 NIST
Cp,liquid 113.00 J/mol×K 298.00 NIST
Cp,liquid 98.70 J/mol×K 298.15 NIST
Cp,liquid 108.78 J/mol×K 298.15 NIST
η [0.0002840; 0.0003440] Pa×s [298.15; 318.15] Show Hide
η 0.0003440 Pa×s 298.15 Density...
η 0.0003070 Pa×s 308.15 Density...
η 0.0002840 Pa×s 318.15 Density...
ΔfusH [1.19; 6.23] kJ/mol [162.50; 189.60] Show Hide
ΔfusH 1.19 kJ/mol 162.50 NIST
ΔfusH 6.23 kJ/mol 189.60 NIST
ΔfusH 6.23 kJ/mol 189.60 NIST
ΔvapH [32.60; 35.50] kJ/mol [286.50; 350.50] Show Hide
ΔvapH 35.50 kJ/mol 286.50 NIST
ΔvapH 33.60 kJ/mol 304.50 NIST
ΔvapH 32.60 kJ/mol 313.00 NIST
ΔvapH 32.90 kJ/mol 318.00 NIST
ΔvapH 32.63 kJ/mol 350.50 KDB
Pvap [94.70; 96.50] kPa [348.55; 350.15] Show Hide
Pvap 94.70 kPa 348.55 Activit...
Pvap 95.50 kPa 348.75 Vapor-l...
Pvap 94.70 kPa 348.85 Bubble ...
Pvap 96.50 kPa 350.15 Isobari...
n0 [1.38870; 1.39090]   [293.15; 298.15] Show Hide
n0 1.39080 293.15 Liquid ...
n0 1.39090 293.15 Isobari...
n0 1.38880 298.15 Activit...
n0 1.38870 298.15 Vapor-l...
n0 1.38880 298.15 Bubble ...
ρl [783.00; 806.00] kg/m3 [293.00; 318.15] Show Hide
ρl 806.00 kg/m3 293.00 KDB
ρl 806.00 kg/m3 293.15 Isobari...
ρl 800.30 kg/m3 298.15 Vapor-l...
ρl 800.30 kg/m3 298.15 Bubble ...
ρl 800.40 kg/m3 298.15 Bubble ...
ρl 800.60 kg/m3 298.15 Liquid ...
ρl 794.00 kg/m3 298.15 Density...
ρl 788.00 kg/m3 308.15 Density...
ρl 783.00 kg/m3 318.15 Density...
ΔfusS [7.32; 32.84] J/mol×K [162.50; 189.60] Show Hide
ΔfusS 7.32 J/mol×K 162.50 NIST
ΔfusS 32.84 J/mol×K 189.60 NIST
γ 0.03 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [255.24; 374.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50433e+01
Coefficient B-3.40158e+03
Coefficient C-2.47100e+01
Temperature range, min.255.24
Temperature range, max.374.24
Pvap 1.33 kPa 255.24 Calculated Property
Pvap 2.97 kPa 268.46 Calculated Property
Pvap 6.09 kPa 281.68 Calculated Property
Pvap 11.64 kPa 294.91 Calculated Property
Pvap 20.93 kPa 308.13 Calculated Property
Pvap 35.74 kPa 321.35 Calculated Property
Pvap 58.30 kPa 334.57 Calculated Property
Pvap 91.37 kPa 347.80 Calculated Property
Pvap 138.22 kPa 361.02 Calculated Property
Pvap 202.65 kPa 374.24 Calculated Property
Pvap [3.78e-03; 4442.70] kPa [189.63; 535.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.37047e+01
Coefficient B-6.15193e+03
Coefficient C-8.99499e+00
Coefficient D9.44061e-06
Temperature range, min.189.63
Temperature range, max.535.00
Pvap 3.78e-03 kPa 189.63 Calculated Property
Pvap 0.20 kPa 228.00 Calculated Property
Pvap 2.84 kPa 266.38 Calculated Property
Pvap 19.07 kPa 304.75 Calculated Property
Pvap 79.33 kPa 343.13 Calculated Property
Pvap 241.28 kPa 381.50 Calculated Property
Pvap 594.63 kPa 419.88 Calculated Property
Pvap 1269.47 kPa 458.25 Calculated Property
Pvap 2455.92 kPa 496.63 Calculated Property
Pvap 4442.70 kPa 535.00 Calculated Property

Similar Compounds

Fumaronitrile. 1-Fluoropropenenitrile. 1-Oxoprop-2-enyl. Allyl radical. 2-Propenenitrile, 2-chloro-. Propanedinitrile, methylene-. 1-Buten-3-yne. 2,2=Difluoropropenenitrile. Propene-d6. Propene. 2-Propenoyl chloride. Cyclopropenylidene. 1,3-Butadiene. 1-Propene, 3,3,3-trichloro-. 2-Propenal.

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Mixtures

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Sources

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

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