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

2,3-Pentadiene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.2040 KDB
Δcgas -3243.90 ± 0.67 kJ/mol NIST
Δf 199.72 kJ/mol Joback Calculated Property
Δc,grossH 3214.27 kJ/mol KDB
Δc,netH 3038.253 kJ/mol KDB
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; 9.26] eV Show Hide
IE 9.13 ± 0.02 eV NIST
IE 9.26 eV NIST
IE 9.13 eV NIST
log10WS -1.64 Crippen Calculated Property
logPoct/wat 1.737 Crippen Calculated Property
McVol 72.710 ml/mol McGowan Calculated Property
Pc 4140.00 kPa KDB
Inp [530.00; 556.00]   Show Hide
Inp 531.00 NIST
Inp 530.00 NIST
Inp 530.00 NIST
Inp 531.10 NIST
Inp 530.00 NIST
Inp 530.00 NIST
Inp 532.00 NIST
Inp 531.00 NIST
Inp 531.00 NIST
Inp 530.00 NIST
Inp 539.00 NIST
Inp 544.00 NIST
Inp Outlier 556.00 NIST
Inp 531.00 NIST
Inp 530.00 NIST
Inp 539.00 NIST
Inp 544.00 NIST
Inp Outlier 556.00 NIST
gas 329.11 J/mol×K NIST
liquid 237.32 J/mol×K NIST
Tboil [321.35; 321.40] K Show Hide
Tboil 321.40 K KDB
Tboil 321.35 ± 0.40 K NIST
Tc 505.80 K KDB
Tfus [147.43; 148.00] K Show Hide
Tfus Outlier 148.00 K KDB
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; 147.52] K Show Hide
Ttriple 147.52 ± 0.05 K NIST
Ttriple 147.52 ± 0.05 K NIST
Vc 0.276 m3/kmol KDB
Zc 0.2712100 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [107.19; 147.68] J/mol×K [321.23; 505.54] Show Hide
Cp,gas 107.19 J/mol×K 321.23 Joback Calculated Property
Cp,gas 114.59 J/mol×K 351.95 Joback Calculated Property
Cp,gas 121.71 J/mol×K 382.67 Joback Calculated Property
Cp,gas 128.58 J/mol×K 413.39 Joback Calculated Property
Cp,gas 135.19 J/mol×K 444.11 Joback Calculated Property
Cp,gas 141.56 J/mol×K 474.82 Joback Calculated Property
Cp,gas 147.68 J/mol×K 505.54 Joback Calculated Property
Cp,liquid 152.34 J/mol×K 298.15 NIST
ΔfusH [6.13; 6.13] kJ/mol [147.50; 147.52] Show Hide
ΔfusH 6.13 kJ/mol 147.50 NIST
ΔfusH 6.13 kJ/mol 147.50 NIST
ΔfusH 6.13 kJ/mol 147.52 NIST
ΔfusH 6.13 kJ/mol 147.52 NIST
ΔvapH [28.24; 33.20] kJ/mol [230.00; 321.40] Show Hide
ΔvapH 33.20 kJ/mol 230.00 NIST
ΔvapH 32.30 kJ/mol 246.00 NIST
ΔvapH 31.10 kJ/mol 294.00 NIST
ΔvapH 29.60 kJ/mol 310.00 NIST
ΔvapH 28.24 kJ/mol 321.40 KDB
n0 1.42509 298.15 KDB
ΔfusS [44.93; 44.93] J/mol×K [147.52; 147.52] Show Hide
ΔfusS 44.93 J/mol×K 147.52 NIST
ΔfusS 44.93 J/mol×K 147.52 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.62] kPa [232.42; 343.71] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41058e+01
Coefficient B-2.69205e+03
Coefficient C-3.76010e+01
Temperature range, min.232.42
Temperature range, max.343.71
Pvap 1.33 kPa 232.42 Calculated Property
Pvap 3.04 kPa 244.79 Calculated Property
Pvap 6.32 kPa 257.15 Calculated Property
Pvap 12.16 kPa 269.52 Calculated Property
Pvap 21.88 kPa 281.88 Calculated Property
Pvap 37.20 kPa 294.25 Calculated Property
Pvap 60.26 kPa 306.61 Calculated Property
Pvap 93.54 kPa 318.98 Calculated Property
Pvap 139.93 kPa 331.34 Calculated Property
Pvap 202.62 kPa 343.71 Calculated Property

Similar Compounds

1,2-Butadiene. 2-METHYL-2,3-PENTADIENE. 2,3-Hexadiene. 3,4-Heptadiene. 1,2-Pentadiene. 2,3-Hexadiene, 2-methyl-. Propene. Propene-d6. 2,3-Pentadiene, 2,4-dimethyl-. 1,1-Dibromopropene. 1,2-Butadiene, 3-methyl-. 1-Propene, 1,1-dichloro-. 3,4-Pentadienal. 2,3-Butadien-1-ol. Propene, 1,1-difluoro-.

Find more compounds similar to 2,3-Pentadiene.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

Login Register