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

1-Buten-3-yne

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
  • But-1-en-3-yne
  • Buten-3-yne
  • Butenyne
  • Ethene, ethynyl-
  • Ethynylethene
  • Monovinylacetylene
  • Vinylacetylene
  • Vinylethyne
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Physical Properties

Property Value Unit Source
ω [0.0920; 0.1069]   Show Hide
ω 0.0920 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.1069 ChemSep v8.3 pure component data Compiled value
ω 0.0920 KDB
ΔcH°liquid -2380.00 kJ/mol NIST
μ 0.39 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [306.00; 306.20] kJ/mol Show Hide
ΔfG° 306.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 306.20 kJ/mol KDB
ΔfH°gas [295.00; 304.80] kJ/mol Show Hide
ΔfH°gas 304.60 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas 304.80 kJ/mol KDB
ΔfH°gas 295.00 kJ/mol NIST
ΔfusH° 7.81 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
logPoct/wat 0.806 Crippen Calculated Property
McVol 54.320 ml/mol McGowan Calculated Property
Pc [4860.00; 4964.93] kPa Show Hide
Pc 4964.93 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 4860.00 kPa ChemSep v8.3 pure component data Compiled value
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
Inp 404.00 NIST
Tboil [276.15; 278.25] K Show Hide
Tboil 278.25 K ChemSep v8.3 pure component data Compiled value
Tboil 278.10 K KDB
Tboil 276.15 ± 3.00 K NIST
Tc [454.00; 455.00] K Show Hide
Tc 455.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 454.00 K ChemSep v8.3 pure component data Compiled value
Tc 455.00 K KDB
Tfus 227.60 K KDB
UQi 2.94 ChemSep v8.3 pure component data Compiled value
URi 3.53 ChemSep v8.3 pure component data Compiled value
Vc [0.202; 0.205] m3/kmol Show Hide
Vc 0.202 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.205 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.202 m3/kmol KDB
Zc [0.2640000; 0.2648410]   Show Hide
Zc 0.2640000 ChemSep v8.3 pure component data Compiled value
Zc 0.2648410 KDB
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
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
Cp,gas [59.15; 156.20] 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 A4.99810e+01
Coefficient B-5.81700e+02
Coefficient C5.14424e+00
Coefficient D-1.08250e-04
Coefficient E3.17300e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 59.15 J/mol×K 200.00 Calculated Property
Cp,gas 80.61 J/mol×K 344.44 Calculated Property
Cp,gas 99.83 J/mol×K 488.89 Calculated Property
Cp,gas 114.69 J/mol×K 633.33 Calculated Property
Cp,gas 126.03 J/mol×K 777.78 Calculated Property
Cp,gas 134.81 J/mol×K 922.22 Calculated Property
Cp,gas 141.77 J/mol×K 1066.67 Calculated Property
Cp,gas 147.43 J/mol×K 1211.11 Calculated Property
Cp,gas 152.16 J/mol×K 1355.56 Calculated Property
Cp,gas 156.20 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [95.78; 106.54] J/mol×K [200.00; 278.25] 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 A6.83820e+01
Coefficient B-6.35140e+01
Coefficient C3.00424e+00
Coefficient D3.14040e-03
Coefficient E-1.03070e-07
Temperature range, min.200.00
Temperature range, max.278.25
Cp,liquid 95.78 J/mol×K 200.00 Calculated Property
Cp,liquid 96.91 J/mol×K 208.69 Calculated Property
Cp,liquid 98.04 J/mol×K 217.39 Calculated Property
Cp,liquid 99.20 J/mol×K 226.08 Calculated Property
Cp,liquid 100.37 J/mol×K 234.78 Calculated Property
Cp,liquid 101.56 J/mol×K 243.47 Calculated Property
Cp,liquid 102.77 J/mol×K 252.17 Calculated Property
Cp,liquid 104.00 J/mol×K 260.86 Calculated Property
Cp,liquid 105.26 J/mol×K 269.56 Calculated Property
Cp,liquid 106.54 J/mol×K 278.25 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0008764; 0.0001041] Pa×s [173.15; 400.00] 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-2.24530e+00
Coefficient B3.20680e+02
Coefficient C-1.28950e+00
Coefficient D-5.65120e-09
Coefficient E2.00000e+00
Temperature range, min.173.15
Temperature range, max.400.00
η 0.0008764 Pa×s 173.15 Calculated Property
η 0.0005812 Pa×s 198.36 Calculated Property
η 0.0004151 Pa×s 223.56 Calculated Property
η 0.0003127 Pa×s 248.77 Calculated Property
η 0.0002452 Pa×s 273.97 Calculated Property
η 0.0001984 Pa×s 299.18 Calculated Property
η 0.0001644 Pa×s 324.38 Calculated Property
η 0.0001390 Pa×s 349.59 Calculated Property
η 0.0001195 Pa×s 374.79 Calculated Property
η 0.0001041 Pa×s 400.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [29.78; 7.55] kJ/mol [173.15; 439.22] 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 A3.31351e+01
Coefficient B-1.05563e-02
Coefficient C7.18670e-01
Coefficient D-2.91074e-01
Coefficient E2.15152e-02
Critical temperature, Tc (K)4.54000e+02
Temperature range, min.173.15
Temperature range, max.439.22
ΔvapH 29.78 kJ/mol 173.15 Calculated Property
ΔvapH 28.51 kJ/mol 202.71 Calculated Property
ΔvapH 27.04 kJ/mol 232.28 Calculated Property
ΔvapH 25.36 kJ/mol 261.84 Calculated Property
ΔvapH 23.45 kJ/mol 291.40 Calculated Property
ΔvapH 21.31 kJ/mol 320.97 Calculated Property
ΔvapH 18.87 kJ/mol 350.53 Calculated Property
ΔvapH 16.04 kJ/mol 380.09 Calculated Property
ΔvapH 12.57 kJ/mol 409.66 Calculated Property
ΔvapH 7.55 kJ/mol 439.22 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 223.95] kPa [205.72; 297.13] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
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 [0.07; 4860.00] kPa [173.15; 434.05] 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 A7.21364e+01
Coefficient B-5.00186e+03
Coefficient C-8.98413e+00
Coefficient D1.29415e-05
Coefficient E2.00000e+00
CommentRange stopped where the equation exceeds Pc; ChemSep gives it to 454 K.
Temperature range, min.173.15
Temperature range, max.434.05
Pvap 0.07 kPa 173.15 Calculated Property
Pvap 1.25 kPa 202.14 Calculated Property
Pvap 9.84 kPa 231.13 Calculated Property
Pvap 45.64 kPa 260.12 Calculated Property
Pvap 149.26 kPa 289.10 Calculated Property
Pvap 384.41 kPa 318.09 Calculated Property
Pvap 838.00 kPa 347.08 Calculated Property
Pvap 1623.77 kPa 376.07 Calculated Property
Pvap 2893.67 kPa 405.06 Calculated Property
Pvap 4860.00 kPa 434.05 Calculated Property
Pvap [0.14; 4773.01] kPa [179.95; 454.00] 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 A7.14672e+01
Coefficient B-5.12322e+03
Coefficient C-8.71388e+00
Coefficient D7.76544e-06
Coefficient E0.00000e+00
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
Pvap [0.13; 100.93] kPa [180.00; 278.40] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.39083e+01
Coefficient B-2.19857e+03
Coefficient C-4.18380e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.180.00
Temperature range, max.278.40
Pvap 0.13 kPa 180.00 Calculated Property
Pvap 0.43 kPa 190.93 Calculated Property
Pvap 1.18 kPa 201.87 Calculated Property
Pvap 2.85 kPa 212.80 Calculated Property
Pvap 6.18 kPa 223.73 Calculated Property
Pvap 12.26 kPa 234.67 Calculated Property
Pvap 22.61 kPa 245.60 Calculated Property
Pvap 39.17 kPa 256.53 Calculated Property
Pvap 64.33 kPa 267.47 Calculated Property
Pvap 100.93 kPa 278.40 Calculated Property
Property Value Unit Temperature (K) Source
ρl [815.80; 413.06] kg/m3 [173.15; 439.22] 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 A6.55827e+01
Coefficient B2.59310e-01
Coefficient C4.54000e+02
Coefficient D2.95530e-01
Temperature range, min.173.15
Temperature range, max.439.22
ρl 815.80 kg/m3 173.15 Calculated Property
ρl 785.49 kg/m3 202.71 Calculated Property
ρl 753.82 kg/m3 232.28 Calculated Property
ρl 720.49 kg/m3 261.84 Calculated Property
ρl 685.05 kg/m3 291.40 Calculated Property
ρl 646.85 kg/m3 320.97 Calculated Property
ρl 604.80 kg/m3 350.53 Calculated Property
ρl 556.89 kg/m3 380.09 Calculated Property
ρl 498.58 kg/m3 409.66 Calculated Property
ρl 413.06 kg/m3 439.22 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 5.77e-04] N/m [173.15; 439.22] 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-1.29910e-01
Coefficient B-1.37950e+01
Coefficient C-1.44020e+00
Coefficient D-1.78320e-03
Coefficient E1.13180e-06
Temperature range, min.173.15
Temperature range, max.439.22
γ 0.04 N/m 173.15 Calculated Property
γ 0.03 N/m 202.71 Calculated Property
γ 0.03 N/m 232.28 Calculated Property
γ 0.02 N/m 261.84 Calculated Property
γ 0.02 N/m 291.40 Calculated Property
γ 0.01 N/m 320.97 Calculated Property
γ 0.01 N/m 350.53 Calculated Property
γ 0.01 N/m 380.09 Calculated Property
γ 0.00 N/m 409.66 Calculated Property
γ 5.77e-04 N/m 439.22 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.08] W/m×K [250.00; 1000.00] 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 A5.41970e-05
Coefficient B1.06320e+00
Coefficient C-7.05890e+01
Coefficient D9.06170e+04
Temperature range, min.250.00
Temperature range, max.1000.00
λgas 0.01 W/m×K 250.00 Calculated Property
λgas 0.02 W/m×K 333.33 Calculated Property
λgas 0.02 W/m×K 416.67 Calculated Property
λgas 0.03 W/m×K 500.00 Calculated Property
λgas 0.04 W/m×K 583.33 Calculated Property
λgas 0.05 W/m×K 666.67 Calculated Property
λgas 0.06 W/m×K 750.00 Calculated Property
λgas 0.07 W/m×K 833.33 Calculated Property
λgas 0.07 W/m×K 916.67 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.17; 0.13] W/m×K [173.15; 278.25] 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 A-5.88700e-02
Coefficient B-2.77180e+01
Coefficient C-9.23170e-01
Coefficient D-2.35810e-03
Coefficient E1.57730e-07
Temperature range, min.173.15
Temperature range, max.278.25
λliquid 0.17 W/m×K 173.15 Calculated Property
λliquid 0.16 W/m×K 184.83 Calculated Property
λliquid 0.16 W/m×K 196.51 Calculated Property
λliquid 0.16 W/m×K 208.18 Calculated Property
λliquid 0.15 W/m×K 219.86 Calculated Property
λliquid 0.15 W/m×K 231.54 Calculated Property
λliquid 0.14 W/m×K 243.22 Calculated Property
λliquid 0.14 W/m×K 254.89 Calculated Property
λliquid 0.13 W/m×K 266.57 Calculated Property
λliquid 0.13 W/m×K 278.25 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, (E)-. 3-Penten-1-yne. 3-Penten-1-yne, (Z)-. Propene. Propene-d6. 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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