Chemical Properties of 1,4-Pentadiene (CAS 591-93-5)

1,4-Pentadiene

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InChI
InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2
InChI Key
QYZLKGVUSQXAMU-UHFFFAOYSA-N
Formula
C5H8
SMILES
C=CCC=C
Molecular Weight1
68.12
CAS
591-93-5
Other Names
  • CH2=CHCH2CH=CH2
  • Penta-1,4-diene
  • Pentadiene-1,4
Sources

Physical Properties

Property Value Unit Source
Δcgas -3217.20 ± 1.30 kJ/mol NIST
Δf 166.90 kJ/mol Joback Calculated Property
Δfgas 106.30 ± 1.30 kJ/mol NIST
Δfus 6.15 kJ/mol Joback Calculated Property
Δvap 25.20 kJ/mol NIST
IE [7.97; 9.72] eV Show Hide
IE 9.62 ± 0.02 eV NIST
IE 9.46 eV NIST
IE 9.62 ± 0.02 eV NIST
IE 9.58 eV NIST
IE Outlier 7.97 eV NIST
IE 9.72 eV NIST
logPoct/wat 1.748 Crippen Calculated Property
Pc 3838.78 kPa Joback Calculated Property
gas 333.97 J/mol×K NIST
liquid 248.86 J/mol×K NIST
liquid 338.70 J/mol×K NIST
Tboil [297.15; 303.00] K Show Hide
Tboil 299.20 K NIST
Tboil 297.15 ± 1.50 K NIST
Tboil 299.25 ± 0.40 K NIST
Tboil 299.21 ± 0.40 K NIST
Tboil 299.20 ± 1.00 K NIST
Tboil 299.16 ± 0.30 K NIST
Tboil 299.24 ± 0.40 K NIST
Tboil 299.27 ± 0.60 K NIST
Tboil 299.24 ± 0.40 K NIST
Tboil 300.30 ± 2.00 K NIST
Tboil 299.00 ± 2.00 K NIST
Tboil 300.00 ± 1.50 K NIST
Tboil Outlier 303.00 ± 4.00 K NIST
Tc 476.65 K Joback Calculated Property
Tfus [124.85; 125.24] K Show Hide
Tfus 125.14 ± 0.05 K NIST
Tfus 124.86 ± 0.03 K NIST
Tfus 124.86 ± 0.03 K NIST
Tfus 124.86 ± 0.02 K NIST
Tfus 124.85 ± 0.40 K NIST
Tfus 125.24 ± 0.60 K NIST
Tfus 125.24 ± 0.30 K NIST
Tfus 125.10 ± 0.50 K NIST
Tfus 125.10 ± 0.30 K NIST
Ttriple 124.91 ± 0.05 K NIST
Ttriple 124.30 ± 0.20 K NIST
Vc 0.278 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 101.81 J/mol×K 307.16 Joback Calculated Property
Cp,liquid 146.61 J/mol×K 292.5 NIST
Cp,liquid 146.82 J/mol×K 298.15 NIST
η 0.0001798 Pa×s 307.16 Joback Calculated Property
ΔfusH [6.07; 6.14] kJ/mol [124.30; 124.90] Show Hide
ΔfusH 6.14 kJ/mol 124.3 NIST
ΔfusH 6.14 kJ/mol 124.3 NIST
ΔfusH 6.14 kJ/mol 124.3 NIST
ΔfusH 6.07 kJ/mol 124.9 NIST
ΔvapH [26.50; 29.30] kJ/mol [221.50; 294.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 29.30 kJ/mol 221.5 NIST
ΔvapH 28.40 kJ/mol 224.5 NIST
ΔvapH 29.10 kJ/mol 226.0 NIST
ΔvapH 28.10 kJ/mol 271.5 NIST
ΔvapH 26.50 kJ/mol 294.0 NIST
ΔfusS 49.41 J/mol×K 124.3 NIST
ΔfusS 48.62 J/mol×K 124.9 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 1
=CH2 2
=CH- 2

Similar Compounds

1,4-Pentadien-3-yl radical. But-3-en-1-yl radical. CH3CHCH=CH2. EtCH=CH. 1-Methylcyclopropyl. 1-Butene. 1,4-Hexadiene, (Z)-. 1,4-Hexadiene. 1,4-Pentadiene, 3-methyl-. trans-1,4-Hexadiene. Pent-3-en-1-yl radical. 1-Butene, 3-methyl-. 1-Penten-3-yl radical. 2-Pentene. 1-Pentene.

Find more compounds similar to 1,4-Pentadiene.

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