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

Physical Properties

Property Value Unit Source
ω 0.1040 KDB
Δcgas -3217.20 ± 1.30 kJ/mol NIST
μ 0.40 debye KDB
Δf 170.40 kJ/mol KDB
Δc,grossH 3191.72 kJ/mol KDB
Δc,netH 3015.660 kJ/mol KDB
Δfgas [105.50; 106.30] kJ/mol Show Hide
Δfgas 105.50 kJ/mol KDB
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
log10WS [-2.09; -2.09]   Show Hide
log10WS -2.09 Aq. Sol...
log10WS -2.09 Estimat...
logPoct/wat 1.748 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 3790.00 kPa KDB
Inp [461.00; 480.50]   Show Hide
Inp 463.00 NIST
Inp 479.00 NIST
Inp 464.30 NIST
Inp 461.00 NIST
Inp 480.00 NIST
Inp 462.20 NIST
Inp 462.50 NIST
Inp 463.80 NIST
Inp 464.30 NIST
Inp 462.11 NIST
Inp 463.00 NIST
Inp 464.00 NIST
Inp 465.00 NIST
Inp 465.00 NIST
Inp 471.00 NIST
Inp 480.50 NIST
Inp 480.00 NIST
Inp 480.00 NIST
Inp 480.50 NIST
I [646.00; 646.00]   Show Hide
I 646.00 NIST
I 646.00 NIST
gas 333.97 J/mol×K NIST
liquid [248.86; 338.70] J/mol×K Show Hide
liquid 248.86 J/mol×K NIST
liquid 338.70 J/mol×K NIST
Tboil 299.10 K KDB
Tc 478.00 K KDB
Tfus [124.88; 124.90] K Show Hide
Tfus 124.90 K KDB
Tfus 124.88 K Aq. Sol...
Ttriple [124.30; 124.91] K Show Hide
Ttriple 124.91 ± 0.05 K NIST
Ttriple 124.30 ± 0.20 K NIST
Vc 0.276 m3/kmol KDB
Zc 0.2631990 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [101.81; 143.72] J/mol×K [307.16; 476.65] Show Hide
Cp,gas 101.81 J/mol×K 307.16 Joback Calculated Property
Cp,gas 109.60 J/mol×K 335.41 Joback Calculated Property
Cp,gas 117.05 J/mol×K 363.66 Joback Calculated Property
Cp,gas 124.18 J/mol×K 391.90 Joback Calculated Property
Cp,gas 130.99 J/mol×K 420.15 Joback Calculated Property
Cp,gas 137.50 J/mol×K 448.40 Joback Calculated Property
Cp,gas 143.72 J/mol×K 476.65 Joback Calculated Property
Cp,liquid [146.61; 146.82] J/mol×K [292.50; 298.15] Show Hide
Cp,liquid 146.61 J/mol×K 292.50 NIST
Cp,liquid 146.82 J/mol×K 298.15 NIST
η [0.0001800; 0.0020771] Pa×s [142.59; 307.16] Show Hide
η 0.0020771 Pa×s 142.59 Joback Calculated Property
η 0.0009946 Pa×s 170.02 Joback Calculated Property
η 0.0005843 Pa×s 197.45 Joback Calculated Property
η 0.0003909 Pa×s 224.88 Joback Calculated Property
η 0.0002853 Pa×s 252.30 Joback Calculated Property
η 0.0002216 Pa×s 279.73 Joback Calculated Property
η 0.0001800 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 124.30 NIST
ΔfusH 6.14 kJ/mol 124.30 NIST
ΔfusH 6.14 kJ/mol 124.30 NIST
ΔfusH 6.07 kJ/mol 124.90 NIST
ΔvapH [26.50; 29.30] kJ/mol [221.50; 299.10] Show Hide
ΔvapH 29.30 kJ/mol 221.50 NIST
ΔvapH 28.40 kJ/mol 224.50 NIST
ΔvapH 29.10 kJ/mol 226.00 NIST
ΔvapH 28.10 kJ/mol 271.50 NIST
ΔvapH 26.50 kJ/mol 294.00 NIST
ΔvapH 27.03 kJ/mol 299.10 KDB
n0 1.38542 298.15 KDB
ρl 661.00 kg/m3 293.00 KDB
ΔfusS [48.62; 49.41] J/mol×K [124.30; 124.90] Show Hide
ΔfusS 49.41 J/mol×K 124.30 NIST
ΔfusS 48.62 J/mol×K 124.90 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [214.13; 321.03] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.33916e+01
Coefficient B-2.25302e+03
Coefficient C-4.21950e+01
Temperature range, min.214.13
Temperature range, max.321.03
Pvap 1.33 kPa 214.13 Calculated Property
Pvap 3.11 kPa 226.01 Calculated Property
Pvap 6.54 kPa 237.89 Calculated Property
Pvap 12.64 kPa 249.76 Calculated Property
Pvap 22.75 kPa 261.64 Calculated Property
Pvap 38.55 kPa 273.52 Calculated Property
Pvap 62.03 kPa 285.40 Calculated Property
Pvap 95.49 kPa 297.27 Calculated Property
Pvap 141.45 kPa 309.15 Calculated Property
Pvap 202.65 kPa 321.03 Calculated Property
Pvap [3.29e-06; 3740.77] kPa [124.86; 479.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.26109e+01
Coefficient B-4.72040e+03
Coefficient C-5.69053e+00
Coefficient D2.57602e-06
Temperature range, min.124.86
Temperature range, max.479.00
Pvap 3.29e-06 kPa 124.86 Calculated Property
Pvap 6.13e-03 kPa 164.21 Calculated Property
Pvap 0.49 kPa 203.56 Calculated Property
Pvap 7.95 kPa 242.91 Calculated Property
Pvap 53.61 kPa 282.26 Calculated Property
Pvap 209.87 kPa 321.60 Calculated Property
Pvap 577.60 kPa 360.95 Calculated Property
Pvap 1252.30 kPa 400.30 Calculated Property
Pvap 2297.82 kPa 439.65 Calculated Property
Pvap 3740.77 kPa 479.00 Calculated Property

Similar Compounds

1,4-Pentadien-3-yl radical. But-3-en-1-yl radical. 1,2,5-Hexatriene. 1-Butene. 1,4-Hexadiene, (Z)-. trans-1,4-Hexadiene. 1,4-Hexadiene. 1,4-Pentadiene, 3-ethenyl-. 1-Methylcyclopropyl. CH3CHCH=CH2. EtCH=CH. 1,3-Cyclopentadiene. 1,4-Hexadiene, 5-methyl-. 1,3,6-Heptatriene. 1,4-Cyclohexadiene.

Find more compounds similar to 1,4-Pentadiene.

Sources

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

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