Chemical Properties of 1-Butyne, 3-methyl- (CAS 598-23-2)

1-Butyne, 3-methyl-

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InChI
InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3
InChI Key
USCSRAJGJYMJFZ-UHFFFAOYSA-N
Formula
C5H8
SMILES
C#CC(C)C
Molecular Weight1
68.12
CAS
598-23-2
Other Names
  • (CH3)2CHC«equiv»CH
  • (CH3)2CHC«equiv»CH
  • 2-Methyl-3-butyne
  • 3-Methyl-1-butyne
  • 3-Methylbutyne
  • 3-methylbut-1-yne
  • ISOPENTYNE
  • ISOPROPYLACETYLENE
  • Isopropyl acetylene
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Physical Properties

Property Value Unit Source
ω 0.1760 KDB
PAff 814.90 kJ/mol NIST
BasG 787.80 kJ/mol NIST
Δf 211.85 kJ/mol Joback Calculated Property
Δc,grossH 3221.09 kJ/mol KDB
Δc,netH 3045.073 kJ/mol KDB
Δfgas 136.40 ± 2.10 kJ/mol NIST
Δfus 8.16 kJ/mol Joback Calculated Property
Δvap 26.19 kJ/mol Joback Calculated Property
IE [9.97; 10.05] eV Show Hide
IE 9.97 eV NIST
IE 10.05 ± 0.02 eV NIST
IE 10.05 ± 0.01 eV NIST
log10WS -1.47 Crippen Calculated Property
logPoct/wat 1.276 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 4210.00 kPa KDB
Inp [436.00; 471.00]   Show Hide
Inp 436.00 NIST
Inp 471.00 NIST
Tboil 299.50 K KDB
Tc 476.00 K KDB
Tfus 183.00 K KDB
Vc 0.272 m3/kmol KDB
Zc 0.2888070 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [108.12; 148.85] J/mol×K [303.48; 482.37] Show Hide
Cp,gas 108.12 J/mol×K 303.48 Joback Calculated Property
Cp,gas 115.68 J/mol×K 333.29 Joback Calculated Property
Cp,gas 122.92 J/mol×K 363.11 Joback Calculated Property
Cp,gas 129.84 J/mol×K 392.92 Joback Calculated Property
Cp,gas 136.46 J/mol×K 422.74 Joback Calculated Property
Cp,gas 142.80 J/mol×K 452.55 Joback Calculated Property
Cp,gas 148.85 J/mol×K 482.37 Joback Calculated Property
ΔvapH [26.15; 30.20] kJ/mol [269.00; 299.50] Show Hide
ΔvapH 30.20 kJ/mol 269.00 NIST
ΔvapH 26.15 kJ/mol 299.50 KDB
n0 1.36950 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [219.99; 322.38] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46392e+01
Coefficient B-2.72830e+03
Coefficient C-2.98900e+01
Temperature range, min.219.99
Temperature range, max.322.38
Pvap 1.33 kPa 219.99 Calculated Property
Pvap 3.00 kPa 231.37 Calculated Property
Pvap 6.18 kPa 242.74 Calculated Property
Pvap 11.84 kPa 254.12 Calculated Property
Pvap 21.31 kPa 265.50 Calculated Property
Pvap 36.33 kPa 276.87 Calculated Property
Pvap 59.10 kPa 288.25 Calculated Property
Pvap 92.26 kPa 299.63 Calculated Property
Pvap 138.92 kPa 311.00 Calculated Property
Pvap 202.64 kPa 322.38 Calculated Property
Pvap [0.04; 3932.61] kPa [183.45; 463.20] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.07703e+02
Coefficient B-6.57589e+03
Coefficient C-1.45180e+01
Coefficient D1.81040e-05
Temperature range, min.183.45
Temperature range, max.463.20
Pvap 0.04 kPa 183.45 Calculated Property
Pvap 0.95 kPa 214.53 Calculated Property
Pvap 8.32 kPa 245.62 Calculated Property
Pvap 40.05 kPa 276.70 Calculated Property
Pvap 130.78 kPa 307.78 Calculated Property
Pvap 330.43 kPa 338.87 Calculated Property
Pvap 703.19 kPa 369.95 Calculated Property
Pvap 1333.99 kPa 401.03 Calculated Property
Pvap 2346.07 kPa 432.12 Calculated Property
Pvap 3932.61 kPa 463.20 Calculated Property

Similar Compounds

4-Methyl-2-pentyne. 3-Hexyne, 2,5-dimethyl-. 3-Hexyne, 2-methyl-. 1-Butyne, 3,3-dimethyl-. 3-Hexyne, 2,2,5-trimethyl. Isobutane. i-C4H9. Isobutyl radical. 1-Butyn-3-yl radical. Cyclopropylacetylene. 1-Pentyne, 3,4-dimethyl. 1-Butyne. 1-Pentyne, 3-methyl-. Pent-1-yn-3-yl. Isobutyronitrile.

Find more compounds similar to 1-Butyne, 3-methyl-.

Sources

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