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

Physical Properties

Property Value Unit Source
ω 0.1730 KDB
Δcgas -3251.60 ± 0.63 kJ/mol NIST
Δf 210.60 kJ/mol KDB
Δc,grossH 3222.77 kJ/mol KDB
Δc,netH 3046.705 kJ/mol KDB
Δfgas [140.60; 145.70] kJ/mol Show Hide
Δfgas 145.70 kJ/mol KDB
Δfgas 140.60 ± 0.67 kJ/mol NIST
Δfus 9.56 kJ/mol Joback Calculated Property
Δvap 28.70 kJ/mol NIST
IE [9.22; 9.42] eV Show Hide
IE 9.25 ± 0.02 eV NIST
IE 9.42 eV NIST
IE 9.22 eV NIST
log10WS -1.64 Crippen Calculated Property
logPoct/wat 1.737 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 4070.00 kPa KDB
Inp [525.00; 527.00]   Show Hide
Inp 526.00 NIST
Inp Outlier 525.00 NIST
Inp 526.00 NIST
Inp 526.00 NIST
Inp 526.00 NIST
Inp 526.00 NIST
Inp 527.00 NIST
Inp 527.00 NIST
Inp 527.00 NIST
Inp 527.00 NIST
Inp 526.00 NIST
gas 334.80 J/mol×K NIST
liquid 244.97 J/mol×K NIST
Tboil [318.00; 319.00] K Show Hide
Tboil 318.00 K KDB
Tboil 318.10 ± 0.40 K NIST
Tboil 319.00 ± 2.00 K NIST
Tboil 318.00 ± 1.00 K NIST
Tc 503.00 K KDB
Tfus [135.82; 135.90] K Show Hide
Tfus 135.90 K KDB
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 0.276 m3/kmol KDB
Zc 0.2685960 KDB
Zra 0.27 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [109.06; 147.61] J/mol×K [313.75; 491.67] Show Hide
Cp,gas 109.06 J/mol×K 313.75 Joback Calculated Property
Cp,gas 115.97 J/mol×K 343.40 Joback Calculated Property
Cp,gas 122.69 J/mol×K 373.06 Joback Calculated Property
Cp,gas 129.22 J/mol×K 402.71 Joback Calculated Property
Cp,gas 135.54 J/mol×K 432.36 Joback Calculated Property
Cp,gas 141.68 J/mol×K 462.02 Joback Calculated Property
Cp,gas 147.61 J/mol×K 491.67 Joback Calculated Property
Cp,liquid 150.83 J/mol×K 298.15 NIST
ΔfusH [7.56; 7.56] kJ/mol [135.89; 135.90] Show Hide
ΔfusH 7.56 kJ/mol 135.89 NIST
ΔfusH 7.56 kJ/mol 135.90 NIST
ΔfusH 7.56 kJ/mol 135.90 NIST
ΔvapH [27.57; 32.20] kJ/mol [229.00; 318.00] Show Hide
ΔvapH 32.20 kJ/mol 229.00 NIST
ΔvapH 31.60 kJ/mol 240.00 NIST
ΔvapH 30.60 kJ/mol 290.00 NIST
ΔvapH 29.10 kJ/mol 302.00 NIST
ΔvapH 27.57 kJ/mol 318.00 KDB
n0 1.41773 298.15 KDB
ρl 693.00 kg/m3 293.00 KDB
ΔfusS 55.63 J/mol×K 135.89 NIST
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [228.17; 340.98] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38337e+01
Coefficient B-2.59213e+03
Coefficient C-3.68150e+01
Temperature range, min.228.17
Temperature range, max.340.98
Pvap 1.33 kPa 228.17 Calculated Property
Pvap 3.07 kPa 240.70 Calculated Property
Pvap 6.40 kPa 253.24 Calculated Property
Pvap 12.33 kPa 265.77 Calculated Property
Pvap 22.20 kPa 278.31 Calculated Property
Pvap 37.70 kPa 290.84 Calculated Property
Pvap 60.91 kPa 303.38 Calculated Property
Pvap 94.26 kPa 315.91 Calculated Property
Pvap 140.51 kPa 328.45 Calculated Property
Pvap 202.66 kPa 340.98 Calculated Property

Similar Compounds

3,4-Heptadiene. 2,3-Hexadiene. 2,3-Hexadiene, 2-methyl-. 1,2-Hexadiene. 4-METHYL-1,2-PENTADIENE. 3,4-Pentadienal. 1,2,5-Hexatriene. 3,4-Octadiene. 4,5-Nonadiene. 3-methylpenta-1,2-diene. EtCH=CH. 1,2-Heptadiene. 1,2,6,7-Cyclodecatetraene. 1-Butene. 1,2-Nonadiene.

Find more compounds similar to 1,2-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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