Chemical Properties of 1,3,5-Hexatriene (CAS 2235-12-3)

1,3,5-Hexatriene

PDF Excel Molecule Calculator

InChI
InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2
InChI Key
AFVDZBIIBXWASR-UHFFFAOYSA-N
Formula
C6H8
SMILES
C=CC=CC=C
Molecular Weight1
80.13
CAS
2235-12-3
Other Names
  • Divinylethylene
  • Hexa-1,3,5-triene
  • Hexatriene
  • hexa-1,3,5-triene, mixed isomers
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf 255.54 kJ/mol Joback Calculated Property
Δfgas 200.91 kJ/mol Joback Calculated Property
Δfus 8.94 kJ/mol Joback Calculated Property
Δvap 27.57 kJ/mol Joback Calculated Property
IE [8.27; 8.42] eV Show Hide
IE 8.42 ± 0.05 eV NIST
IE 8.27 ± 0.05 eV NIST
log10WS -1.89 Crippen Calculated Property
logPoct/wat 1.915 Crippen Calculated Property
McVol 82.500 ml/mol McGowan Calculated Property
Pc 3637.73 kPa Joback Calculated Property
Inp [629.00; 648.00]   Show Hide
Inp 648.00 NIST
Inp 647.00 NIST
Inp 629.00 NIST
Inp 648.00 NIST
Tboil 334.20 K Joback Calculated Property
Tc 514.08 K Joback Calculated Property
Tfus 261.45 ± 0.30 K NIST
Vc 0.314 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [119.39; 167.09] J/mol×K [334.20; 514.08] Show Hide
Cp,gas 119.39 J/mol×K 334.20 Joback Calculated Property
Cp,gas 128.51 J/mol×K 364.18 Joback Calculated Property
Cp,gas 137.13 J/mol×K 394.16 Joback Calculated Property
Cp,gas 145.27 J/mol×K 424.14 Joback Calculated Property
Cp,gas 152.97 J/mol×K 454.12 Joback Calculated Property
Cp,gas 160.23 J/mol×K 484.10 Joback Calculated Property
Cp,gas 167.09 J/mol×K 514.08 Joback Calculated Property
η [0.0001656; 0.0024391] Pa×s [148.78; 334.20] Show Hide
η 0.0024391 Pa×s 148.78 Joback Calculated Property
η 0.0010595 Pa×s 179.68 Joback Calculated Property
η 0.0005878 Pa×s 210.59 Joback Calculated Property
η 0.0003792 Pa×s 241.49 Joback Calculated Property
η 0.0002702 Pa×s 272.39 Joback Calculated Property
η 0.0002063 Pa×s 303.30 Joback Calculated Property
η 0.0001656 Pa×s 334.20 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [260.03; 375.67] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49077e+01
Coefficient B-3.22923e+03
Coefficient C-3.91590e+01
Temperature range, min.260.03
Temperature range, max.375.67
Pvap 1.33 kPa 260.03 Calculated Property
Pvap 2.98 kPa 272.88 Calculated Property
Pvap 6.12 kPa 285.73 Calculated Property
Pvap 11.70 kPa 298.58 Calculated Property
Pvap 21.06 kPa 311.43 Calculated Property
Pvap 35.93 kPa 324.27 Calculated Property
Pvap 58.56 kPa 337.12 Calculated Property
Pvap 91.66 kPa 349.97 Calculated Property
Pvap 138.45 kPa 362.82 Calculated Property
Pvap 202.65 kPa 375.67 Calculated Property

Similar Compounds

1,3,5-Hexatriene, (E)-. 1,3,5-Hexatriene, (Z)-. 1,3,5,7-Cyclooctatetraene. 1,3-Pentadiene, (E)-. 1,3-Pentadiene, (Z)-. 1,3-Pentadiene. 1,3,5-heptatriene. 1,3,5-Heptatriene, (E,E)-. (E,Z)-1,3,5-heptatriene. 2,4-pentadienal. Cis-1-cyano-1,3-butadiene. 2,4-Pentadienenitrile. Trans-1-cyano-1,3-butadiene. (Z)-3,5-Hexadien-1-yne. (E)-3,5-Hexadien-1-yne.

Find more compounds similar to 1,3,5-Hexatriene.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.

Login Register