Chemical Properties of 1-Buten-3-yne (CAS 689-97-4)

1-Buten-3-yne

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InChI
InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2
InChI Key
WFYPICNXBKQZGB-UHFFFAOYSA-N
Formula
C4H4
SMILES
C#CC=C
Molecular Weight1
52.07
CAS
689-97-4
Other Names
  • 1-BUTEN-3-YEN
  • 1-Butene-3-yne
  • 1-Butenyne
  • 1-Butyn-3-ene
  • 3-Buten-1-yne
  • BUTENYNE
  • But-1-en-3-yne
  • Buten-3-yne
  • ETHYNYLETHENE
  • Ethene, ethynyl-
  • Monovinylacetylene
  • Vinylacetylene
  • Vinylethyne
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Physical Properties

Property Value Unit Source
ω 0.0920 KDB
Δcliquid -2380.00 kJ/mol NIST
Δf 306.20 kJ/mol KDB
Δfgas [295.00; 304.80] kJ/mol Show Hide
Δfgas 304.80 kJ/mol KDB
Δfgas 295.00 kJ/mol NIST
Δfus 7.81 kJ/mol Joback Calculated Property
Δvap 23.69 kJ/mol Joback Calculated Property
IE [9.58; 9.90] eV Show Hide
IE 9.58 ± 0.02 eV NIST
IE 9.58 ± 0.02 eV NIST
IE 9.58 ± 0.02 eV NIST
IE 9.58 ± 0.02 eV NIST
IE 9.63 eV NIST
IE 9.90 eV NIST
IE 9.90 eV NIST
IE 9.87 eV NIST
IE 9.90 eV NIST
IE 9.90 eV NIST
IE 9.64 ± 0.03 eV NIST
log10WS -1.15 Crippen Calculated Property
logPoct/wat 0.806 Crippen Calculated Property
McVol 54.320 ml/mol McGowan Calculated Property
Pc 4960.00 kPa KDB
Inp [373.00; 410.00]   Show Hide
Inp 373.00 NIST
Inp 373.00 NIST
Inp 374.00 NIST
Inp 374.00 NIST
Inp 407.15 NIST
Inp 404.00 NIST
Inp 410.00 NIST
Tboil [276.15; 278.10] K Show Hide
Tboil 278.10 K KDB
Tboil 276.15 ± 3.00 K NIST
Tc 455.00 K KDB
Tfus 227.60 K KDB
Vc 0.202 m3/kmol KDB
Zc 0.2648410 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [70.14; 95.56] J/mol×K [277.72; 454.49] Show Hide
Cp,gas 70.14 J/mol×K 277.72 Joback Calculated Property
Cp,gas 74.98 J/mol×K 307.18 Joback Calculated Property
Cp,gas 79.56 J/mol×K 336.64 Joback Calculated Property
Cp,gas 83.89 J/mol×K 366.11 Joback Calculated Property
Cp,gas 88.00 J/mol×K 395.57 Joback Calculated Property
Cp,gas 91.89 J/mol×K 425.03 Joback Calculated Property
Cp,gas 95.56 J/mol×K 454.49 Joback Calculated Property
ΔvapH [24.48; 26.00] kJ/mol [229.00; 278.10] Show Hide
ΔvapH 26.00 kJ/mol 229.00 NIST
ΔvapH 24.48 kJ/mol 278.10 KDB
ρl 710.00 kg/m3 273.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 223.95] kPa [205.72; 297.13] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35875e+01
Coefficient B-1.93992e+03
Coefficient C-5.98620e+01
Temperature range, min.205.72
Temperature range, max.297.13
Pvap 1.33 kPa 205.72 Calculated Property
Pvap 3.17 kPa 215.88 Calculated Property
Pvap 6.78 kPa 226.03 Calculated Property
Pvap 13.27 kPa 236.19 Calculated Property
Pvap 24.17 kPa 246.35 Calculated Property
Pvap 41.36 kPa 256.50 Calculated Property
Pvap 67.14 kPa 266.66 Calculated Property
Pvap 104.16 kPa 276.82 Calculated Property
Pvap 155.36 kPa 286.97 Calculated Property
Pvap 223.95 kPa 297.13 Calculated Property
Pvap [0.14; 4773.01] kPa [179.95; 454.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.14672e+01
Coefficient B-5.12322e+03
Coefficient C-8.71388e+00
Coefficient D7.76544e-06
Temperature range, min.179.95
Temperature range, max.454.00
Pvap 0.14 kPa 179.95 Calculated Property
Pvap 2.34 kPa 210.40 Calculated Property
Pvap 17.42 kPa 240.85 Calculated Property
Pvap 75.86 kPa 271.30 Calculated Property
Pvap 231.15 kPa 301.75 Calculated Property
Pvap 550.88 kPa 332.20 Calculated Property
Pvap 1103.81 kPa 362.65 Calculated Property
Pvap 1952.70 kPa 393.10 Calculated Property
Pvap 3155.54 kPa 423.55 Calculated Property
Pvap 4773.01 kPa 454.00 Calculated Property

Similar Compounds

Hex-3-en-1,5-diyne. 1,5-Hexadien-3-yne. 1-Penten-3-yne. 1-Methylthio-3-buten-1-yne. 1-Tridecene-3,5,7,9,11-pentayne. 2-Propenenitrile. 1-Oxoprop-2-enyl. Allyl radical. 3-Penten-1-yne. 3-Penten-1-yne, (Z)-. 3-Penten-1-yne, (E)-. Propene-d6. Propene. 4-Methylthio-3-buten-1-yne. 1-Propene, 3,3,3-trichloro-.

Find more compounds similar to 1-Buten-3-yne.

Sources

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