Chemical Properties of 1,3-Pentadiene, (E)- (CAS 2004-70-8)

1,3-Pentadiene, (E)-

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InChI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InChI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
Formula
C5H8
SMILES
C=CC=CC
Molecular Weight1
68.12
CAS
2004-70-8
Other Names
  • (E)-1,3-Pentadiene
  • (E)-CH2=CHCH=CHCH3
  • 1,trans-3-Pentadiene
  • Pentadiene-1,3,trans
  • trans-1,3-Pentadiene
  • trans-1-Methylbutadiene
  • trans-Piperylene
  • trans-penta-1,3-diene
Sources

Physical Properties

Property Value Unit Source
PAff 834.10 kJ/mol NIST
BasG 804.40 kJ/mol NIST
Δcgas -3186.70 ± 0.63 kJ/mol NIST
Δf 159.28 kJ/mol Joback Calculated Property
Δfgas 75.77 ± 0.67 kJ/mol NIST
Δfus 7.63 kJ/mol Joback Calculated Property
Δvap 27.80 kJ/mol NIST
IE [8.56; 8.61] eV Show Hide
IE 8.59 ± 0.02 eV NIST
IE 8.59 ± 0.02 eV NIST
IE 8.61 ± 0.02 eV NIST
IE 8.60 eV NIST
IE 8.61 eV NIST
IE 8.56 eV NIST
logPoct/wat 1.748 Crippen Calculated Property
Pc 3886.79 kPa Joback Calculated Property
gas 315.60 J/mol×K NIST
liquid 227.11 J/mol×K NIST
Tboil [314.70; 315.32] K Show Hide
Tboil 315.20 K NIST
Tboil 314.70 ± 2.00 K NIST
Tboil 315.32 ± 0.30 K NIST
Tboil 315.20 ± 0.40 K NIST
Tboil 315.00 ± 0.60 K NIST
Tboil 315.00 ± 2.00 K NIST
Tboil 315.00 ± 2.00 K NIST
Tc 490.29 K Joback Calculated Property
Tfus [184.30; 185.66] K Show Hide
Tfus 185.64 ± 0.05 K NIST
Tfus 185.66 ± 0.03 K NIST
Tfus 185.40 ± 0.02 K NIST
Tfus 185.00 ± 0.30 K NIST
Tfus 185.50 ± 0.50 K NIST
Tfus 185.10 ± 0.50 K NIST
Tfus Outlier 184.30 ± 0.50 K NIST
Ttriple 185.71 ± 0.05 K NIST
Vc 0.277 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 100.21 J/mol×K 314.64 Joback Calculated Property
Cp,liquid 149.33 J/mol×K 298.15 NIST
η 0.0001561 Pa×s 314.64 Joback Calculated Property
ΔfusH 7.14 kJ/mol 185.7 NIST
ΔfusH 7.14 kJ/mol 185.7 NIST
ΔfusH 7.14 kJ/mol 185.71 NIST
ΔvapH [28.30; 31.30] kJ/mol [227.50; 304.00] Show Hide
ΔvapH 31.30 kJ/mol 227.5 NIST
ΔvapH 30.70 kJ/mol 242.0 NIST
ΔvapH 29.50 kJ/mol 290.0 NIST
ΔvapH 28.30 kJ/mol 304.0 NIST
ΔfusS 38.47 J/mol×K 185.71 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
-CH3 1
=CH- 3

Similar Compounds

1,3-Pentadiene, (Z)-. 1,3-Pentadiene. (Z),(Z)-2,4-Hexadiene. 1,3,5-Hexatriene, (Z)-. 2,4-Hexadiene, (E,Z)-. 2,4-Hexadiene. 2,4-Hexadiene, (E,E)-. 1,3,5-Hexatriene, (E)-. 1,3,5-Hexatriene. Cyclobutadiene. 1,3,5-Heptatriene, (E,E)-. 1,3-Butadiene. 2-Butene, (Z)-. 2-Butene. (E,Z)-1,3,5-heptatriene.

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