Chemical Properties of 2-Butyne (CAS 503-17-3)

2-Butyne

InChI
InChI=1S/C4H6/c1-3-4-2/h1-2H3
InChI Key
XNMQEEKYCVKGBD-UHFFFAOYSA-N
Formula
C4H6
SMILES
CC#CC
Molecular Weight1
54.09
CAS
503-17-3
Other Names
  • But-2-yne
  • CH3C«equiv»CCH3
  • Crotonylene
  • Dimethylacetylene
  • UN 1144
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Physical Properties

Property Value Unit Source
ω [0.1078; 0.2385]   Show Hide
ω 0.1078 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2385 ChemSep v8.3 pure component data Compiled value
ω 0.1305 KDB
PAff 775.80 kJ/mol NIST
BasG 745.10 kJ/mol NIST
ΔcH°gas -2576.70 ± 0.96 kJ/mol NIST
μ [0.80; 3.96] debye Show Hide
μ 3.96 debye ChemSep v8.3 pure component data Compiled value
μ 0.80 debye KDB
ΔfG° [184.90; 185.60] kJ/mol Show Hide
ΔfG° 184.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 185.60 kJ/mol KDB
Δc,grossH 2550.94 kJ/mol KDB
Δc,netH 2418.896 kJ/mol KDB
ΔfH°gas [145.10; 148.00] kJ/mol Show Hide
ΔfH°gas 145.76 ± 0.79 kJ/mol Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas 145.70 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas 146.40 kJ/mol KDB
ΔfH°gas 145.10 ± 1.00 kJ/mol NIST
ΔfH°gas 148.00 ± 1.50 kJ/mol NIST
ΔfusH° 9.24 kJ/mol Joback Calculated Property
ΔvapH° 26.70 kJ/mol NIST
IE [9.56; 9.79] eV Show Hide
IE 9.58 ± 0.02 eV NIST
IE 9.59 ± 0.02 eV NIST
IE 9.56 ± 0.01 eV NIST
IE 9.61 eV NIST
IE 9.59 eV NIST
IE 9.56 eV NIST
IE Outlier 9.79 eV NIST
logPoct/wat 1.030 Crippen Calculated Property
McVol 58.620 ml/mol McGowan Calculated Property
Pc [4870.00; 5080.00] kPa Show Hide
Pc 4900.00 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 4870.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 5080.00 kPa KDB
Ptriple 6.12 kPa ChemSep v8.3 pure component data Compiled value
Inp [462.00; 488.00]   Show Hide
Inp 463.00 NIST
Inp 463.00 NIST
Inp 463.00 NIST
Inp 462.00 NIST
Inp 473.00 NIST
Inp 488.00 NIST
Inp 478.00 NIST
Inp 485.00 NIST
Inp 466.00 NIST
Inp 482.00 NIST
Inp 463.00 NIST
Inp 482.00 NIST
S°liquid 195.10 J/mol×K NIST
Tboil [298.65; 301.65] K Show Hide
Tboil 300.13 K ChemSep v8.3 pure component data Compiled value
Tboil 300.12 K KDB
Tboil 300.00 K NIST
Tboil 300.20 K NIST
Tboil 300.12 ± 0.20 K NIST
Tboil 300.10 ± 0.15 K NIST
Tboil 300.65 ± 0.50 K NIST
Tboil 300.13 ± 0.20 K NIST
Tboil 300.10 ± 0.30 K NIST
Tboil 300.13 ± 0.30 K NIST
Tboil 300.11 ± 0.20 K NIST
Tboil 300.14 ± 0.20 K NIST
Tboil 300.23 ± 0.30 K NIST
Tboil 300.14 ± 0.20 K NIST
Tboil 299.84 ± 0.15 K NIST
Tboil 300.00 ± 2.00 K NIST
Tboil 300.35 ± 0.50 K NIST
Tboil 300.40 ± 1.00 K NIST
Tboil 300.65 ± 2.00 K NIST
Tboil 301.15 ± 1.00 K NIST
Tboil 300.25 ± 0.40 K NIST
Tboil Outlier 301.65 ± 1.50 K NIST
Tboil Outlier 298.65 ± 3.00 K NIST
Tboil 300.55 ± 1.00 K NIST
Tboil Outlier 301.65 ± 5.00 K NIST
Tc [473.20; 488.70] K Show Hide
Tc 488.60 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 473.20 K ChemSep v8.3 pure component data Compiled value
Tc 488.70 K KDB
Tfus [240.50; 241.15] K Show Hide
Tfus 241.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 240.91 K ChemSep v8.3 pure component data Compiled value
Tfus 240.79 K KDB
Tfus 240.82 ± 0.20 K NIST
Tfus 240.90 ± 0.20 K NIST
Tfus 240.63 ± 0.30 K NIST
Tfus 240.83 ± 0.10 K NIST
Tfus 240.50 ± 0.30 K NIST
Ttriple [240.80; 240.94] K Show Hide
Ttriple 240.94 K Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple 240.91 K ChemSep v8.3 pure component data Compiled value
Ttriple 240.80 ± 0.15 K NIST
Ttriple 240.93 ± 0.06 K NIST
Ttriple 240.80 ± 0.15 K NIST
Ttriple 240.93 ± 0.06 K NIST
UQi 2.48 ChemSep v8.3 pure component data Compiled value
URi 2.86 ChemSep v8.3 pure component data Compiled value
Vc [0.221; 0.221] m3/kmol Show Hide
Vc 0.221 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.221 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.221 m3/kmol KDB
VCOSTALD 0.22 m3/kmol Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK 0.16 Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc [0.2740000; 0.2762980]   Show Hide
Zc 0.2740000 ChemSep v8.3 pure component data Compiled value
Zc 0.2762980 KDB
Zra 0.27 Hankinson and Thomson (1979), COSTALD parameters Compiled value

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [84.56; 89.66] J/mol×K [336.07; 369.46] Show Hide
Cp,gas 84.56 J/mol×K 336.07 NIST
Cp,gas 89.66 J/mol×K 369.46 NIST
Cp,liquid [119.20; 125.10] J/mol×K [250.00; 298.15] Show Hide
Cp,liquid 119.20 J/mol×K 250.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 120.50 J/mol×K 260.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 121.70 J/mol×K 270.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 122.10 J/mol×K 273.15 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 122.90 J/mol×K 280.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 124.10 J/mol×K 290.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 124.14 J/mol×K 290.00 NIST
Cp,liquid 125.10 J/mol×K 298.15 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH [9.23; 9.25] kJ/mol [240.90; 240.93] Show Hide
ΔfusH 9.25 kJ/mol 240.90 NIST
ΔfusH 9.25 kJ/mol 240.90 NIST
ΔfusH 9.23 kJ/mol 240.92 NIST
ΔfusH 9.23 kJ/mol 240.92 NIST
ΔfusH 9.23 kJ/mol 240.93 NIST
ΔsubH 37.40 kJ/mol 219.50 NIST
ΔvapH [26.65; 29.00] kJ/mol [274.00; 300.10] Show Hide
ΔvapH 29.00 kJ/mol 274.00 NIST
ΔvapH 26.95 kJ/mol 291.00 NIST
ΔvapH 26.95 kJ/mol 291.00 NIST
ΔvapH 26.90 ± 0.30 kJ/mol 291.00 NIST
ΔvapH 26.90 ± 0.10 kJ/mol 291.00 NIST
ΔvapH 26.95 kJ/mol 291.00 NIST
ΔvapH 26.90 ± 0.10 kJ/mol 291.00 NIST
ΔvapH 26.65 kJ/mol 300.10 KDB
n0 1.38930 298.15 KDB
ρl 691.00 kg/m3 293.00 KDB
ΔfusS [38.33; 38.35] J/mol×K [240.92; 240.93] Show Hide
ΔfusS 38.35 J/mol×K 240.92 NIST
ΔfusS 38.35 J/mol×K 240.92 NIST
ΔfusS 38.33 J/mol×K 240.93 NIST
γ 0.02 N/m 298.20 KDB
ΔvapS [92.59; 92.59] J/mol×K [291.00; 291.00] Show Hide
ΔvapS 92.59 J/mol×K 291.00 NIST
ΔvapS 92.59 J/mol×K 291.00 NIST
ΔvapS 92.59 J/mol×K 291.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [66.43; 191.74] 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 A6.22260e+01
Coefficient B-8.26040e+02
Coefficient C5.60524e+00
Coefficient D-2.01300e-04
Coefficient E4.94240e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 66.43 J/mol×K 200.00 Calculated Property
Cp,gas 85.41 J/mol×K 344.44 Calculated Property
Cp,gas 108.24 J/mol×K 488.89 Calculated Property
Cp,gas 128.47 J/mol×K 633.33 Calculated Property
Cp,gas 145.03 J/mol×K 777.78 Calculated Property
Cp,gas 158.38 J/mol×K 922.22 Calculated Property
Cp,gas 169.17 J/mol×K 1066.67 Calculated Property
Cp,gas 178.03 J/mol×K 1211.11 Calculated Property
Cp,gas 185.43 J/mol×K 1355.56 Calculated Property
Cp,gas 191.74 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [119.39; 146.00] J/mol×K [240.91; 416.29] 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 A1.16500e+02
Coefficient B3.51160e+01
Coefficient C-1.04436e+00
Coefficient D4.98770e-03
Coefficient E1.30870e-05
Temperature range, min.240.91
Temperature range, max.416.29
Cp,liquid 119.39 J/mol×K 240.91 Calculated Property
Cp,liquid 120.08 J/mol×K 260.40 Calculated Property
Cp,liquid 120.99 J/mol×K 279.88 Calculated Property
Cp,liquid 122.19 J/mol×K 299.37 Calculated Property
Cp,liquid 123.79 J/mol×K 318.86 Calculated Property
Cp,liquid 125.94 J/mol×K 338.34 Calculated Property
Cp,liquid 128.86 J/mol×K 357.83 Calculated Property
Cp,liquid 132.84 J/mol×K 377.32 Calculated Property
Cp,liquid 138.34 J/mol×K 396.80 Calculated Property
Cp,liquid 146.00 J/mol×K 416.29 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0003796; 0.0000985] Pa×s [240.91; 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-4.56220e-02
Coefficient B3.05040e+02
Coefficient C-1.65820e+00
Coefficient D-4.74900e-08
Coefficient E2.00000e+00
Temperature range, min.240.91
Temperature range, max.400.00
η 0.0003796 Pa×s 240.91 Calculated Property
η 0.0003094 Pa×s 258.59 Calculated Property
η 0.0002570 Pa×s 276.26 Calculated Property
η 0.0002169 Pa×s 293.94 Calculated Property
η 0.0001855 Pa×s 311.62 Calculated Property
η 0.0001605 Pa×s 329.29 Calculated Property
η 0.0001403 Pa×s 346.97 Calculated Property
η 0.0001238 Pa×s 364.65 Calculated Property
η 0.0001100 Pa×s 382.32 Calculated Property
η 0.0000985 Pa×s 400.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.68] kPa [225.64; 319.22] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.36731e+01
Coefficient B-2.08471e+03
Coefficient C-6.98960e+01
Temperature range, min.225.64
Temperature range, max.319.22
Pvap 1.33 kPa 225.64 Calculated Property
Pvap 3.08 kPa 236.04 Calculated Property
Pvap 6.45 kPa 246.44 Calculated Property
Pvap 12.44 kPa 256.83 Calculated Property
Pvap 22.39 kPa 267.23 Calculated Property
Pvap 38.00 kPa 277.63 Calculated Property
Pvap 61.31 kPa 288.03 Calculated Property
Pvap 94.71 kPa 298.42 Calculated Property
Pvap 140.86 kPa 308.82 Calculated Property
Pvap 202.68 kPa 319.22 Calculated Property
Pvap [4.32; 4872.79] kPa [235.35; 473.20] 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 A5.96533e+01
Coefficient B-4.99805e+03
Coefficient C-6.83428e+00
Coefficient D6.68205e-06
Coefficient E2.00000e+00
Temperature range, min.235.35
Temperature range, max.473.20
Pvap 4.32 kPa 235.35 Calculated Property
Pvap 19.47 kPa 261.78 Calculated Property
Pvap 64.02 kPa 288.21 Calculated Property
Pvap 167.79 kPa 314.63 Calculated Property
Pvap 371.75 kPa 341.06 Calculated Property
Pvap 725.71 kPa 367.49 Calculated Property
Pvap 1286.21 kPa 393.92 Calculated Property
Pvap 2115.79 kPa 420.34 Calculated Property
Pvap 3284.40 kPa 446.77 Calculated Property
Pvap 4872.79 kPa 473.20 Calculated Property
Pvap [5.80; 5090.63] kPa [240.00; 488.15] 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 A4.50165e+01
Coefficient B-4.55895e+03
Coefficient C-4.44326e+00
Coefficient D1.52939e-06
Coefficient E0.00000e+00
Temperature range, min.240.00
Temperature range, max.488.15
Pvap 5.80 kPa 240.00 Calculated Property
Pvap 25.86 kPa 267.57 Calculated Property
Pvap 84.13 kPa 295.14 Calculated Property
Pvap 217.30 kPa 322.72 Calculated Property
Pvap 472.17 kPa 350.29 Calculated Property
Pvap 898.81 kPa 377.86 Calculated Property
Pvap 1543.30 kPa 405.43 Calculated Property
Pvap 2442.34 kPa 433.01 Calculated Property
Pvap 3620.61 kPa 460.58 Calculated Property
Pvap 5090.63 kPa 488.15 Calculated Property
Property Value Unit Temperature (K) Source
ρl [744.64; 402.82] kg/m3 [240.91; 460.97] 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 A6.33778e+01
Coefficient B2.58950e-01
Coefficient C4.73200e+02
Coefficient D2.72890e-01
Temperature range, min.240.91
Temperature range, max.460.97
ρl 744.64 kg/m3 240.91 Calculated Property
ρl 720.28 kg/m3 265.36 Calculated Property
ρl 694.64 kg/m3 289.81 Calculated Property
ρl 667.44 kg/m3 314.26 Calculated Property
ρl 638.26 kg/m3 338.71 Calculated Property
ρl 606.48 kg/m3 363.17 Calculated Property
ρl 571.08 kg/m3 387.62 Calculated Property
ρl 530.17 kg/m3 412.07 Calculated Property
ρl 479.44 kg/m3 436.52 Calculated Property
ρl 402.82 kg/m3 460.97 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 3.84e-04] N/m [240.91; 473.20] 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-2.82080e-03
Coefficient B1.16280e+03
Coefficient C-1.49950e+01
Coefficient D4.22510e-02
Coefficient E-5.89440e-05
CommentRange stopped at Tc; ChemSep gives it to 488.68 K.
Temperature range, min.240.91
Temperature range, max.473.20
γ 0.03 N/m 240.91 Calculated Property
γ 0.03 N/m 266.72 Calculated Property
γ 0.02 N/m 292.53 Calculated Property
γ 0.02 N/m 318.34 Calculated Property
γ 0.01 N/m 344.15 Calculated Property
γ 0.01 N/m 369.96 Calculated Property
γ 0.01 N/m 395.77 Calculated Property
γ 0.00 N/m 421.58 Calculated Property
γ 0.00 N/m 447.39 Calculated Property
γ 3.84e-04 N/m 473.20 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.01; 0.09] W/m×K [240.91; 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 A2.14970e-04
Coefficient B9.19980e-01
Coefficient C2.14540e+02
Coefficient D1.30500e+05
Temperature range, min.240.91
Temperature range, max.1000.00
λgas 0.01 W/m×K 240.91 Calculated Property
λgas 0.02 W/m×K 325.25 Calculated Property
λgas 0.02 W/m×K 409.60 Calculated Property
λgas 0.03 W/m×K 493.94 Calculated Property
λgas 0.04 W/m×K 578.28 Calculated Property
λgas 0.05 W/m×K 662.63 Calculated Property
λgas 0.06 W/m×K 746.97 Calculated Property
λgas 0.07 W/m×K 831.31 Calculated Property
λgas 0.08 W/m×K 915.66 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.08] W/m×K [240.91; 428.44] 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 A7.44310e-03
Coefficient B-1.54130e+02
Coefficient C-2.50980e-01
Coefficient D-4.62920e-03
Coefficient E-7.36620e-08
Temperature range, min.240.91
Temperature range, max.428.44
λliquid 0.14 W/m×K 240.91 Calculated Property
λliquid 0.14 W/m×K 261.75 Calculated Property
λliquid 0.13 W/m×K 282.58 Calculated Property
λliquid 0.12 W/m×K 303.42 Calculated Property
λliquid 0.11 W/m×K 324.26 Calculated Property
λliquid 0.11 W/m×K 345.09 Calculated Property
λliquid 0.10 W/m×K 365.93 Calculated Property
λliquid 0.09 W/m×K 386.77 Calculated Property
λliquid 0.09 W/m×K 407.60 Calculated Property
λliquid 0.08 W/m×K 428.44 Calculated Property

Similar Compounds

But-2-yn-1-yl radical. Cyanopropyne. 2-Butynal. 2,4-Hexadiyne. CH3-CC-CC-CH2. 1,3-Pentadiyne. 2-Butyne, 1-chloro-. Propyne. Propyne-3,3,3-d1. Propyne-d4. Propargyl radical. 2-Butyn-1-ol. 2-Butyne, 1,4-dichloro-. 1,4-Hexadiyne. 1-Propynol.

Find more compounds similar to 2-Butyne.

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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