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

Physical Properties

Property Value Unit Source
ω 0.1750 KDB
PAff 834.10 kJ/mol NIST
BasG 804.40 kJ/mol NIST
Δcgas -3186.70 ± 0.63 kJ/mol NIST
μ 0.70 debye KDB
Δf 146.80 kJ/mol KDB
Δc,grossH 3158.71 kJ/mol KDB
Δc,netH 2982.690 kJ/mol KDB
Δfgas [75.77; 77.87] kJ/mol Show Hide
Δfgas 77.87 kJ/mol KDB
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
log10WS -1.62 Crippen Calculated Property
logPoct/wat 1.748 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 3990.00 kPa KDB
Inp [506.00; 528.00]   Show Hide
Inp 515.00 NIST
Inp 526.00 NIST
Inp Outlier 506.00 NIST
Inp 522.00 NIST
Inp 516.00 NIST
Inp 515.80 NIST
Inp 515.70 NIST
Inp 516.50 NIST
Inp 515.70 NIST
Inp 516.20 NIST
Inp 526.00 NIST
Inp 516.00 NIST
Inp 513.75 NIST
Inp 515.00 NIST
Inp 516.00 NIST
Inp 518.00 NIST
Inp 519.00 NIST
Inp 518.00 NIST
Inp 528.00 NIST
Inp 526.00 NIST
Inp 524.00 NIST
Inp 515.00 NIST
Inp 521.00 NIST
Inp 523.00 NIST
Inp 519.00 NIST
Inp 521.00 NIST
Inp 528.00 NIST
Inp 515.00 NIST
Inp 528.00 NIST
Inp 521.00 NIST
Inp 515.80 NIST
Inp 526.00 NIST
Inp 518.00 NIST
Inp 524.00 NIST
gas 315.60 J/mol×K NIST
liquid 227.11 J/mol×K NIST
Tboil [314.70; 315.32] K Show Hide
Tboil 315.10 K KDB
Tboil 315.20 K NIST
Tboil Outlier 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 496.00 K KDB
Tfus [184.30; 185.70] K Show Hide
Tfus 185.70 K KDB
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 0.275 m3/kmol KDB
Zc 0.2660650 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [100.21; 143.95] J/mol×K [314.64; 490.29] Show Hide
Cp,gas 100.21 J/mol×K 314.64 Joback Calculated Property
Cp,gas 108.47 J/mol×K 343.91 Joback Calculated Property
Cp,gas 116.31 J/mol×K 373.19 Joback Calculated Property
Cp,gas 123.76 J/mol×K 402.46 Joback Calculated Property
Cp,gas 130.84 J/mol×K 431.74 Joback Calculated Property
Cp,gas 137.57 J/mol×K 461.01 Joback Calculated Property
Cp,gas 143.95 J/mol×K 490.29 Joback Calculated Property
Cp,liquid 149.33 J/mol×K 298.15 NIST
η [0.0001562; 0.0024945] Pa×s [139.27; 314.64] Show Hide
η 0.0024945 Pa×s 139.27 Joback Calculated Property
η 0.0010531 Pa×s 168.50 Joback Calculated Property
η 0.0005737 Pa×s 197.73 Joback Calculated Property
η 0.0003655 Pa×s 226.95 Joback Calculated Property
η 0.0002581 Pa×s 256.18 Joback Calculated Property
η 0.0001957 Pa×s 285.41 Joback Calculated Property
η 0.0001562 Pa×s 314.64 Joback Calculated Property
ΔfusH [7.14; 7.14] kJ/mol [185.70; 185.71] Show Hide
ΔfusH 7.14 kJ/mol 185.70 NIST
ΔfusH 7.14 kJ/mol 185.70 NIST
ΔfusH 7.14 kJ/mol 185.71 NIST
ΔvapH [27.03; 31.30] kJ/mol [227.50; 317.20] Show Hide
ΔvapH 31.30 kJ/mol 227.50 NIST
ΔvapH 30.70 kJ/mol 242.00 NIST
ΔvapH 29.50 kJ/mol 290.00 NIST
ΔvapH 28.30 kJ/mol 304.00 NIST
ΔvapH 27.03 kJ/mol 317.20 KDB
n0 1.42669 298.15 KDB
ρl 676.00 kg/m3 293.00 KDB
ΔfusS 38.47 J/mol×K 185.71 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [226.73; 337.92] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.34984e+01
Coefficient B-2.39392e+03
Coefficient C-4.55170e+01
Temperature range, min.226.73
Temperature range, max.337.92
Pvap 1.33 kPa 226.73 Calculated Property
Pvap 3.10 kPa 239.08 Calculated Property
Pvap 6.51 kPa 251.44 Calculated Property
Pvap 12.57 kPa 263.79 Calculated Property
Pvap 22.61 kPa 276.15 Calculated Property
Pvap 38.33 kPa 288.50 Calculated Property
Pvap 61.74 kPa 300.86 Calculated Property
Pvap 95.17 kPa 313.21 Calculated Property
Pvap 141.20 kPa 325.57 Calculated Property
Pvap 202.63 kPa 337.92 Calculated Property
Pvap [0.03; 3748.07] kPa [185.71; 500.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.28741e+01
Coefficient B-4.98799e+03
Coefficient C-5.68031e+00
Coefficient D2.52732e-06
Temperature range, min.185.71
Temperature range, max.500.00
Pvap 0.03 kPa 185.71 Calculated Property
Pvap 0.77 kPa 220.63 Calculated Property
Pvap 7.63 kPa 255.55 Calculated Property
Pvap 40.42 kPa 290.47 Calculated Property
Pvap 141.43 kPa 325.39 Calculated Property
Pvap 372.00 kPa 360.32 Calculated Property
Pvap 798.92 kPa 395.24 Calculated Property
Pvap 1479.86 kPa 430.16 Calculated Property
Pvap 2455.34 kPa 465.08 Calculated Property
Pvap 3748.07 kPa 500.00 Calculated Property

Similar Compounds

1,3-Pentadiene. 1,3-Pentadiene, (Z)-. 1,3,5-Heptatriene, (E,E)-. (E,Z)-1,3,5-heptatriene. 1,3,5-heptatriene. (Z),(Z)-2,4-Hexadiene. 2,4-Hexadiene. 2,4-Hexadiene, (E,Z)-. 2,4-Hexadiene, (E,E)-. 2,4,6-octatriene. Octa-2,4,6-triene. (E,Z)-2,4,6-octatriene. (E,E,E)-2,4,6-Octatriene. 1,3,5-Hexatriene. 1,3,5-Hexatriene, (Z)-.

Find more compounds similar to 1,3-Pentadiene, (E)-.

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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