Chemical Properties of 2-Hexyne, 5-methyl- (CAS 53566-37-3)

2-Hexyne, 5-methyl-

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InChI
InChI=1S/C7H12/c1-4-5-6-7(2)3/h7H,6H2,1-3H3
InChI Key
SVGAHRUSRQTQES-UHFFFAOYSA-N
Formula
C7H12
SMILES
CC#CCC(C)C
Molecular Weight1
96.17
CAS
53566-37-3
Other Names
  • 1-Methyl-2-isobutylacetylene
  • 5-Methyl-2-hexyne
  • METHYLISOBUTYLACETYLENE
  • Methyl isobutylacetylene

Physical Properties

Property Value Unit Source
Δf 208.42 kJ/mol Joback Calculated Property
Δfgas 79.21 kJ/mol Joback Calculated Property
Δfus 13.48 kJ/mol Joback Calculated Property
Δvap 32.94 kJ/mol Joback Calculated Property
IE 9.32 ± 0.01 eV NIST
log10WS -2.31 Crippen Calculated Property
logPoct/wat 2.056 Crippen Calculated Property
McVol 100.890 ml/mol McGowan Calculated Property
Pc 3372.36 kPa Joback Calculated Property
Inp [701.00; 701.00]   Show Hide
Inp 701.00 NIST
Inp 701.00 NIST
Tboil [375.00; 376.00] K Show Hide
Tboil 375.00 K NIST
Tboil 375.61 ± 0.30 K NIST
Tboil 375.29 ± 0.30 K NIST
Tboil 376.00 ± 6.00 K NIST
Tc 561.09 K Joback Calculated Property
Tfus 259.75 K Joback Calculated Property
Ttriple 180.54 ± 0.20 K NIST
Vc 0.384 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [171.85; 231.49] J/mol×K [368.12; 561.09] Show Hide
Cp,gas 171.85 J/mol×K 368.12 Joback Calculated Property
Cp,gas 182.83 J/mol×K 400.28 Joback Calculated Property
Cp,gas 193.38 J/mol×K 432.44 Joback Calculated Property
Cp,gas 203.51 J/mol×K 464.60 Joback Calculated Property
Cp,gas 213.23 J/mol×K 496.76 Joback Calculated Property
Cp,gas 222.56 J/mol×K 528.92 Joback Calculated Property
Cp,gas 231.49 J/mol×K 561.09 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [273.42; 401.65] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37983e+01
Coefficient B-2.92657e+03
Coefficient C-5.68120e+01
Temperature range, min.273.42
Temperature range, max.401.65
Pvap 1.33 kPa 273.42 Calculated Property
Pvap 3.07 kPa 287.67 Calculated Property
Pvap 6.41 kPa 301.92 Calculated Property
Pvap 12.36 kPa 316.16 Calculated Property
Pvap 22.24 kPa 330.41 Calculated Property
Pvap 37.76 kPa 344.66 Calculated Property
Pvap 60.99 kPa 358.91 Calculated Property
Pvap 94.36 kPa 373.15 Calculated Property
Pvap 140.58 kPa 387.40 Calculated Property
Pvap 202.66 kPa 401.65 Calculated Property

Similar Compounds

4-octyne, 2,7-dimethyl. 6-Methyl-3-heptyne. 3-Heptyne, 2,2,6-trimethyl. 1-Pentyne, 4-methyl-. 2-Heptyne, 5-methyl. 2-Hexyne, 4,5-dimethyl. 3-Heptyne, 6,6-dimethyl. 2-Hexyne, 4-methyl-. 3-Heptyne, 5-methyl-. 2-Hexyne, 5,5-dimethyl. 2-Hexyne. 6-Methyl-2-heptyne. 3-Heptyne, 2-methyl. 2,9-Dimethyl-5-decyne. 3-Octyne, 7-methyl-.

Find more compounds similar to 2-Hexyne, 5-methyl-.

Sources

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