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

Propanenitrile

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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

Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

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. 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 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. 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] 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 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] 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 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 12.72 kPa 313.15 Phase e...
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 36.51 kPa 339.57 Phase e...
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 60.04 kPa 353.83 Phase e...
Pvap 64.72 kPa 356.17 Vapor L...
Pvap 69.60 kPa 358.33 Phase e...
Pvap 69.81 kPa 358.37 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 85.50 kPa 364.80 Phase e...
Pvap 91.88 kPa 367.21 Vapor L...
Pvap 93.32 kPa 367.78 Vapor-L...
Pvap 96.66 kPa 368.88 Vapor L...
Pvap 103.12 kPa 370.90 Phase e...
Pvap 103.78 kPa 371.23 Vapor L...
n0 [1.36330; 1.36380]   [298.15; 298.15] Show Hide
n0 1.36330 298.15 Excess ...
n0 1.36380 298.15 Speed o...
n0 1.36368 298.15 Vapor-L...
ρl [765.20; 782.00] kg/m3 [293.00; 308.15] Show Hide
ρl 782.00 kg/m3 293.00 KDB
ρl 776.80 kg/m3 298.15 Excess ...
ρl 776.70 kg/m3 298.15 Speed o...
ρl 775.40 kg/m3 298.15 Molecul...
ρl 776.85 kg/m3 298.15 Vapor-L...
ρl 777.69 kg/m3 298.15 Calorim...
ρl 776.00 kg/m3 298.15 Vapor L...
ρl 769.90 kg/m3 303.15 Molecul...
ρl 765.20 kg/m3 308.15 Molecul...
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
csound,fluid [1213.70; 1252.40] m/s [298.15; 308.15] Show Hide
csound,fluid 1252.40 m/s 298.15 Molecul...
csound,fluid 1232.70 m/s 303.15 Molecul...
csound,fluid 1213.70 m/s 308.15 Molecul...
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 Concent...
ΔvapS 121.10 J/mol×K 298.15 NIST

Datasets

Speed of sound, m/s of Propanenitrile [ref]

Operational condition: Frequency, MHz = 1.5 (Liquid)

Fixed Measured
Temperature, K of Propanenitrile - Liquid Pressure, kPa of Propanenitrile - Liquid Speed of sound, m/s of Propanenitrile - Liquid
283.15 100.00 1325.9
283.15 5000.00 1350.7
283.15 10000.00 1375.5
283.15 20000.00 1421.7
283.15 30000.00 1461.6
283.15 40000.00 1503.3
283.15 50000.00 1538.1
283.15 60000.00 1573.5
283.15 70000.00 1605.5
283.15 80000.00 1636.9
283.15 90000.00 1666.8
283.15 95000.00 1681.2
293.15 100.00 1283.6
293.15 5000.00 1308.9
293.15 10000.00 1333.8
293.15 20000.00 1380.4
293.15 30000.00 1423.7
293.15 40000.00 1464.1
293.15 50000.00 1502.2
293.15 60000.00 1537.8
293.15 70000.00 1572.0
293.15 80000.00 1604.4
293.15 90000.00 1635.2
293.15 95000.00 1650.2
303.15 100.00 1241.5
303.15 5000.00 1268.4
303.15 10000.00 1294.2
303.15 20000.00 1342.6
303.15 30000.00 1387.8
303.15 40000.00 1430.4
303.15 50000.00 1469.0
303.15 60000.00 1506.0
303.15 70000.00 1541.1
303.15 80000.00 1574.6
303.15 90000.00 1606.6
303.15 95000.00 1621.8
313.15 100.00 1199.7
313.15 5000.00 1228.1
313.15 10000.00 1255.5
313.15 20000.00 1305.8
313.15 30000.00 1352.3
313.15 40000.00 1395.7
313.15 50000.00 1436.5
313.15 60000.00 1474.5
313.15 70000.00 1510.3
313.15 80000.00 1544.6
313.15 90000.00 1577.2
313.15 95000.00 1592.9
323.15 100.00 1158.5
323.15 5000.00 1188.4
323.15 10000.00 1217.1
323.15 20000.00 1270.1
323.15 30000.00 1318.0
323.15 40000.00 1362.7
323.15 50000.00 1404.6
323.15 60000.00 1443.9
323.15 70000.00 1480.7
323.15 80000.00 1515.8
323.15 90000.00 1549.2
323.15 95000.00 1565.5
333.15 100.00 1119.0
333.15 5000.00 1149.9
333.15 10000.00 1179.8
333.15 20000.00 1235.3
333.15 30000.00 1285.2
333.15 40000.00 1330.9
333.15 50000.00 1374.0
333.15 60000.00 1414.4
333.15 70000.00 1452.2
333.15 80000.00 1488.1
333.15 90000.00 1522.0
333.15 95000.00 1538.5
343.15 100.00 1078.9
343.15 5000.00 1111.5
343.15 10000.00 1142.7
343.15 20000.00 1200.4
343.15 30000.00 1252.6
343.15 40000.00 1299.9
343.15 50000.00 1343.8
343.15 60000.00 1385.6
343.15 70000.00 1424.3
343.15 80000.00 1461.3
343.15 90000.00 1496.1
343.15 95000.00 1512.7

Isobaric coefficient of expansion, 1/K of Propanenitrile [ref]

Fixed Measured
Temperature, K of Propanenitrile - Liquid Pressure, kPa of Propanenitrile - Liquid Isobaric coefficient of expansion, 1/K of Propanenitrile - 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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 4308.85] kPa [275.44; 564.40] The Yaw... 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 Vap... 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-2-13c. CH3CD2CH3. Propane. Propane-d8. n-Propyl radical. 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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