Chemical Properties of 1,2-Pentadiene (CAS 591-95-7)

1,2-Pentadiene

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InChI
InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3
InChI Key
LVMTVPFRTKXRPH-UHFFFAOYSA-N
Formula
C5H8
SMILES
C=C=CCC
Molecular Weight1
68.12
CAS
591-95-7
Other Names
  • 1-Methyl-2,3-butadiene
  • CH2=C=CHCH2CH3
  • Ethylallene
  • penta-1,2-diene
Sources

Physical Properties

Property Value Unit Source
Δcgas -3251.60 ± 0.63 kJ/mol NIST
Δf 207.34 kJ/mol Joback Calculated Property
Δfgas 140.60 ± 0.67 kJ/mol NIST
Δfus 9.56 kJ/mol Joback Calculated Property
Δvap 28.70 kJ/mol NIST
IE 9.25 ± 0.02 eV NIST
IE 9.42 eV NIST
IE 9.22 eV NIST
logPoct/wat 1.738 Crippen Calculated Property
Pc 4088.15 kPa Joback Calculated Property
gas 334.80 J/mol×K NIST
liquid 244.97 J/mol×K NIST
Tboil 318.10 ± 0.40 K NIST
Tboil 319.00 ± 2.00 K NIST
Tboil 318.00 ± 1.00 K NIST
Tc 491.67 K Joback Calculated Property
Tfus [135.82; 135.89] K Show Hide
Tfus 135.88 ± 0.03 K NIST
Tfus 135.87 ± 0.04 K NIST
Tfus 135.89 ± 0.02 K NIST
Tfus 135.84 ± 0.03 K NIST
Tfus 135.82 ± 0.04 K NIST
Ttriple 135.89 ± 0.05 K NIST
Vc 0.277 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 109.06 J/mol×K 313.75 Joback Calculated Property
Cp,liquid 150.83 J/mol×K 298.15 NIST
ΔfusH 7.56 kJ/mol 135.89 NIST
ΔfusH 7.56 kJ/mol 135.9 NIST
ΔfusH 7.56 kJ/mol 135.9 NIST
ΔvapH [29.10; 32.20] kJ/mol [229.00; 302.00] Show Hide
ΔvapH 32.20 kJ/mol 229.0 NIST
ΔvapH 31.60 kJ/mol 240.0 NIST
ΔvapH 30.60 kJ/mol 290.0 NIST
ΔvapH 29.10 kJ/mol 302.0 NIST
ΔfusS 55.63 J/mol×K 135.89 NIST

Molecular Descriptors

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

Similar Compounds

1,2,5-Hexatriene. 3,4-Heptadiene. 1-Methylcyclopropyl. 1,2-Butadiene. EtCH=CH. CH3CHCH=CH2. 1-Butene. But-3-en-1-yl radical. 3,4-Pentadienal. 1,2-Butadiene, 3-methyl-. 2,3-Hexadiene, 2-methyl-. 1,2-Heptadiene. 1,4-Pentadiene. 2,3-Pentadiene. 1,4-Pentadien-3-yl radical.

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