Chemical Properties of 1-Hexyne, 5-methyl- (CAS 2203-80-7)

1-Hexyne, 5-methyl-

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InChI
InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
InChI Key
HKNANEMUCJGPMS-UHFFFAOYSA-N
Formula
C7H12
SMILES
C#CCCC(C)C
Molecular Weight1
96.17
CAS
2203-80-7
Other Names
  • (CH3)2CH(CH2)2C«equiv»CH
  • (CH3)2CH(CH2)2C«equiv»CH
  • 5-Methyl-1-hexyne
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Physical Properties

Property Value Unit Source
Δf 228.69 kJ/mol Joback Calculated Property
Δfgas 98.81 kJ/mol Joback Calculated Property
Δfus 13.34 kJ/mol Joback Calculated Property
Δvap 30.65 kJ/mol Joback Calculated Property
IE 10.02 ± 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 3325.84 kPa Joback Calculated Property
Inp [654.00; 656.00]   Show Hide
Inp 654.00 NIST
Inp 654.00 NIST
Inp 655.00 NIST
Inp 656.00 NIST
Inp 656.00 NIST
Inp 654.00 NIST
Tboil [363.95; 365.20] K Show Hide
Tboil 364.90 K NIST
Tboil 365.20 K NIST
Tboil 364.65 ± 1.50 K NIST
Tboil Outlier 363.95 ± 0.70 K NIST
Tboil 365.00 ± 0.20 K NIST
Tboil 365.15 ± 2.00 K NIST
Tc 528.78 K Joback Calculated Property
Tfus 148.55 ± 0.50 K NIST
Vc 0.384 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [171.87; 229.49] J/mol×K [349.24; 528.78] Show Hide
Cp,gas 171.87 J/mol×K 349.24 Joback Calculated Property
Cp,gas 182.56 J/mol×K 379.16 Joback Calculated Property
Cp,gas 192.80 J/mol×K 409.09 Joback Calculated Property
Cp,gas 202.59 J/mol×K 439.01 Joback Calculated Property
Cp,gas 211.96 J/mol×K 468.93 Joback Calculated Property
Cp,gas 220.92 J/mol×K 498.86 Joback Calculated Property
Cp,gas 229.49 J/mol×K 528.78 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [266.23; 390.08] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38742e+01
Coefficient B-2.86792e+03
Coefficient C-5.51500e+01
Temperature range, min.266.23
Temperature range, max.390.08
Pvap 1.33 kPa 266.23 Calculated Property
Pvap 3.06 kPa 279.99 Calculated Property
Pvap 6.39 kPa 293.75 Calculated Property
Pvap 12.30 kPa 307.51 Calculated Property
Pvap 22.14 kPa 321.27 Calculated Property
Pvap 37.61 kPa 335.04 Calculated Property
Pvap 60.80 kPa 348.80 Calculated Property
Pvap 94.14 kPa 362.56 Calculated Property
Pvap 140.40 kPa 376.32 Calculated Property
Pvap 202.64 kPa 390.08 Calculated Property

Similar Compounds

2,9-Dimethyl-5-decyne. 6-Methyl-2-heptyne. 1-Heptyne, 6-methyl. 3-Octyne, 7-methyl-. 1-Hexyne, 4-methyl. 1-Nonyne, 7-methyl-. 1-Hexyne, 3,5-dimethyl. 1-Hexyne, 4,5-dimethyl. 3-Methyl-1-hexyne. 1-Heptyne, 4-methyl. 1-Hexyne, 5,5-dimethyl. 7-Octadecyne, 2-methyl-. Pentane, 2-methyl-. 1-Hexyne. 2-Heptyne, 5-methyl.

Find more compounds similar to 1-Hexyne, 5-methyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.