Chemical Properties of 2,4-Hexadiene, 2,5-dimethyl- (CAS 764-13-6)

2,4-Hexadiene, 2,5-dimethyl-

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InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChI Key
DZPCYXCBXGQBRN-UHFFFAOYSA-N
Formula
C8H14
SMILES
CC(C)=CC=C(C)C
Molecular Weight1
110.20
CAS
764-13-6
Other Names
  • (CH3)2C=CHCH=C(CH3)2
  • 2,5-Dimethyl-2,4-hexadiene
  • 2,5-Dimethylhexa-2,4-diene
  • BIISOBUTENYL
  • BIISOCROTYL
  • Diisocrotyl
  • NSC 10812
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Physical Properties

Property Value Unit Source
Δcliquid -5085.77 ± 0.70 kJ/mol NIST
Δf 159.82 kJ/mol Joback Calculated Property
Δfgas -19.20 ± 0.84 kJ/mol NIST
Δfliquid -63.12 ± 0.84 kJ/mol NIST
Δfus 14.26 kJ/mol Joback Calculated Property
Δvap 43.92 ± 0.05 kJ/mol NIST
IE [7.65; 7.91] eV Show Hide
IE 7.67 eV NIST
IE 7.65 eV NIST
IE 7.91 ± 0.04 eV NIST
IE 7.67 eV NIST
log10WS -2.88 Crippen Calculated Property
logPoct/wat 2.919 Crippen Calculated Property
McVol 114.980 ml/mol McGowan Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Inp [821.00; 862.00]   Show Hide
Inp 861.00 NIST
Inp 862.00 NIST
Inp 821.00 NIST
Inp 858.00 NIST
Inp 861.00 NIST
Inp 862.00 NIST
Inp 862.00 NIST
Inp 861.00 NIST
Inp 821.00 NIST
I 1032.00 NIST
Tboil 390.52 K Joback Calculated Property
Tc 578.76 K Joback Calculated Property
Tfus [286.81; 287.90] K Show Hide
Tfus Outlier 287.90 ± 2.00 K NIST
Tfus 286.81 ± 0.50 K NIST
Tfus 286.81 ± 0.30 K NIST
Tfus 287.10 ± 1.00 K NIST
Tfus 287.10 ± 1.00 K NIST
Tfus 287.09 ± 1.00 K NIST
Tfus 287.05 ± 0.50 K NIST
Tfus 287.10 ± 1.00 K NIST
Vc 0.446 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [203.58; 272.88] J/mol×K [390.52; 578.76] Show Hide
Cp,gas 203.58 J/mol×K 390.52 Joback Calculated Property
Cp,gas 216.76 J/mol×K 421.89 Joback Calculated Property
Cp,gas 229.24 J/mol×K 453.27 Joback Calculated Property
Cp,gas 241.05 J/mol×K 484.64 Joback Calculated Property
Cp,gas 252.25 J/mol×K 516.01 Joback Calculated Property
Cp,gas 262.84 J/mol×K 547.39 Joback Calculated Property
Cp,gas 272.88 J/mol×K 578.76 Joback Calculated Property
Cp,liquid 459.00 J/mol×K 298.15 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.32; 202.66] kPa [286.80; 430.43] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57350e+01
Coefficient B-3.91653e+03
Coefficient C-5.46880e+01
Temperature range, min.286.80
Temperature range, max.430.43
Pvap 0.32 kPa 286.80 Calculated Property
Pvap 0.95 kPa 302.76 Calculated Property
Pvap 2.46 kPa 318.72 Calculated Property
Pvap 5.74 kPa 334.68 Calculated Property
Pvap 12.20 kPa 350.64 Calculated Property
Pvap 24.00 kPa 366.59 Calculated Property
Pvap 44.23 kPa 382.55 Calculated Property
Pvap 77.01 kPa 398.51 Calculated Property
Pvap 127.64 kPa 414.47 Calculated Property
Pvap 202.66 kPa 430.43 Calculated Property
Pvap [2.58; 268.42] kPa [313.15; 447.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.50466e+01
Coefficient B-8.42143e+03
Coefficient C-1.18285e+01
Coefficient D7.84032e-06
Temperature range, min.313.15
Temperature range, max.447.15
Pvap 2.58 kPa 313.15 Calculated Property
Pvap 5.44 kPa 328.04 Calculated Property
Pvap 10.61 kPa 342.93 Calculated Property
Pvap 19.36 kPa 357.82 Calculated Property
Pvap 33.32 kPa 372.71 Calculated Property
Pvap 54.58 kPa 387.59 Calculated Property
Pvap 85.60 kPa 402.48 Calculated Property
Pvap 129.30 kPa 417.37 Calculated Property
Pvap 189.00 kPa 432.26 Calculated Property
Pvap 268.42 kPa 447.15 Calculated Property

Similar Compounds

2,4-Hexadiene, 2-methyl-. 4-Methyl-1,3-pentadiene. 2-Methyl-2,4,6-octatriene. 2-Butene, 2-methyl-. 2-Butenal, 3-methyl-. α,α'-Dimethylmuconic acid. 6-Methyl-3,5-heptadienone. (3Z)-6-Methyl-3,5-heptadien-2-one. 6-Methyl-3,5-heptadiene-2-one. 3,5-Heptadien-2-one, 6-methyl-, (E)-. 6-methyl-(Z)-3,5-heptadien-2-one. 2,4-Dimethyl-2,4,6-octatriene. 2-Butene, 1-bromo-3-methyl-. 1,3,5-Hexatriene, 3-methyl-, (E)-. 3-methyl-2-butenenitrile.

Find more compounds similar to 2,4-Hexadiene, 2,5-dimethyl-.

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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