Chemical Properties of 2,3-Pentadiene (CAS 591-96-8)

2,3-Pentadiene

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InChI
InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3
InChI Key
PODAMDNJNMAKAZ-UHFFFAOYSA-N
Formula
C5H8
SMILES
CC=C=CC
Molecular Weight1
68.12
CAS
591-96-8
Other Names
  • 1,3-Dimethylallene
  • CH3CH=C=CHCH3
Sources

Physical Properties

Property Value Unit Source
Δcgas -3243.90 ± 0.67 kJ/mol NIST
Δf 199.72 kJ/mol Joback Calculated Property
Δfgas 133.00 ± 0.71 kJ/mol NIST
Δfus 11.04 kJ/mol Joback Calculated Property
Δvap 29.50 kJ/mol NIST
IE 9.13 ± 0.02 eV NIST
IE 9.26 eV NIST
IE 9.13 eV NIST
logPoct/wat 1.738 Crippen Calculated Property
Pc 4140.93 kPa Joback Calculated Property
gas 329.11 J/mol×K NIST
liquid 237.32 J/mol×K NIST
Tboil 321.35 ± 0.40 K NIST
Tc 505.54 K Joback Calculated Property
Tfus [147.43; 147.50] K Show Hide
Tfus 147.43 ± 0.06 K NIST
Tfus 147.43 ± 0.20 K NIST
Tfus 147.46 ± 0.05 K NIST
Tfus 147.47 ± 0.04 K NIST
Tfus 147.50 ± 0.02 K NIST
Ttriple 147.52 ± 0.05 K NIST
Vc 0.276 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 107.19 J/mol×K 321.23 Joback Calculated Property
Cp,liquid 152.34 J/mol×K 298.15 NIST
ΔfusH 6.13 kJ/mol 147.5 NIST
ΔfusH 6.13 kJ/mol 147.5 NIST
ΔfusH 6.13 kJ/mol 147.52 NIST
ΔvapH [29.60; 33.20] kJ/mol [230.00; 310.00] Show Hide
ΔvapH 33.20 kJ/mol 230.0 NIST
ΔvapH 32.30 kJ/mol 246.0 NIST
ΔvapH 31.10 kJ/mol 294.0 NIST
ΔvapH 29.60 kJ/mol 310.0 NIST
ΔfusS 44.93 J/mol×K 147.52 NIST

Molecular Descriptors

Joback and Reid Groups
=C= 1
-CH3 2
=CH- 2

Similar Compounds

1,2-Butadiene. 1,2-Butadiene, 3-methyl-. 1,2-Pentadiene. 3,4-Heptadiene. 2,3-Pentadiene, 2,4-dimethyl-. Propene. 2,3-Butadien-1-ol. Chromium, bis[«mu»-[(1-«eta»:2,3-«eta»)-2-propenyl]]bis(«eta»3-2-propenyl)di-, (Cr-Cr). Allyl radical. 1,2,5-Hexatriene. 1,3-Butadiene. 2,3-Hexadiene, 2-methyl-. 2-Butene, (Z)-. 2-Butene. 2-Butene, (E)-.

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