Chemical Properties of Benzene, pentafluoromethyl- (CAS 771-56-2)

Benzene, pentafluoromethyl-

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InChI
InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
InChI Key
SXPRVMIZFRCAGC-UHFFFAOYSA-N
Formula
C7H3F5
SMILES
Cc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
182.09
CAS
771-56-2
Other Names
  • 2,3,4,5,6-Pentafluoro-1-methylbenzene
  • 2,3,4,5,6-Pentafluorotoluene
  • Methyl pentafluorobenzene
  • PENTAFLUOROMETHYLBENZENE
  • Pentafluorotoluene
  • Toluene, 2,3,4,5,6-pentafluoro-
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Physical Properties

Property Value Unit Source
ω 0.4150 KDB
Δcliquid -3194.40 ± 1.50 kJ/mol NIST
Δf -901.73 kJ/mol Joback Calculated Property
Δfgas -843.30 ± 1.50 kJ/mol NIST
Δfliquid -884.20 ± 1.50 kJ/mol NIST
Δfus 21.38 kJ/mol Joback Calculated Property
Δvap [40.90; 41.20] kJ/mol Show Hide
Δvap 41.13 kJ/mol NIST
Δvap 41.20 kJ/mol NIST
Δvap 40.90 ± 0.40 kJ/mol NIST
IE [9.40; 9.81] eV Show Hide
IE 9.40 eV NIST
IE 9.60 ± 0.10 eV NIST
IE 9.40 eV NIST
IE 9.81 eV NIST
log10WS -3.61 Crippen Calculated Property
logPoct/wat 2.691 Crippen Calculated Property
McVol 94.580 ml/mol McGowan Calculated Property
Pc 3126.00 kPa KDB
ρc 473.44 ± 0.47 kg/m3 NIST
liquid [306.40; 310.87] J/mol×K Show Hide
liquid 310.87 J/mol×K NIST
liquid 306.40 J/mol×K NIST
Tboil [390.00; 390.60] K Show Hide
Tboil 390.60 K KDB
Tboil 390.00 K NIST
Tboil 390.20 K NIST
Tboil 390.60 K NIST
Tc [548.60; 566.52] K Show Hide
Tc 566.52 K KDB
Tc 548.60 K NIST
Tc 566.52 ± 0.05 K NIST
Tfus 243.30 K KDB
Ttriple [243.35; 243.70] K Show Hide
Ttriple 243.70 ± 0.20 K NIST
Ttriple 243.35 ± 0.02 K NIST
Vc 0.384 m3/kmol KDB
Zc 0.2548400 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [185.43; 222.03] J/mol×K [407.49; 574.08] Show Hide
Cp,gas 185.43 J/mol×K 407.49 Joback Calculated Property
Cp,gas 192.04 J/mol×K 435.26 Joback Calculated Property
Cp,gas 198.45 J/mol×K 463.02 Joback Calculated Property
Cp,gas 204.65 J/mol×K 490.79 Joback Calculated Property
Cp,gas 210.65 J/mol×K 518.55 Joback Calculated Property
Cp,gas 216.44 J/mol×K 546.32 Joback Calculated Property
Cp,gas 222.03 J/mol×K 574.08 Joback Calculated Property
Cp,liquid [225.80; 231.12] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 231.12 J/mol×K 298.15 NIST
Cp,liquid 225.80 J/mol×K 298.15 NIST
ΔfusH [13.28; 13.28] kJ/mol [243.70; 243.70] Show Hide
ΔfusH 13.28 kJ/mol 243.70 NIST
ΔfusH 13.28 kJ/mol 243.70 NIST
ΔvapH [34.75; 39.90] kJ/mol [364.00; 528.50] Show Hide
ΔvapH 39.90 kJ/mol 364.00 NIST
ΔvapH 34.75 kJ/mol 390.60 NIST
ΔvapH 36.10 kJ/mol 463.00 NIST
ΔvapH 34.90 kJ/mol 528.50 NIST
ΔfusS 54.49 J/mol×K 243.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [288.54; 419.53] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39378e+01
Coefficient B-3.07019e+03
Coefficient C-6.36160e+01
Temperature range, min.288.54
Temperature range, max.419.53
Pvap 1.33 kPa 288.54 Calculated Property
Pvap 3.06 kPa 303.09 Calculated Property
Pvap 6.37 kPa 317.65 Calculated Property
Pvap 12.27 kPa 332.20 Calculated Property
Pvap 22.08 kPa 346.76 Calculated Property
Pvap 37.51 kPa 361.31 Calculated Property
Pvap 60.66 kPa 375.87 Calculated Property
Pvap 93.99 kPa 390.42 Calculated Property
Pvap 140.30 kPa 404.98 Calculated Property
Pvap 202.66 kPa 419.53 Calculated Property
Pvap [5.06; 3084.20] kPa [312.15; 566.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.89485e+01
Coefficient B-7.41141e+03
Coefficient C-9.43421e+00
Coefficient D6.17295e-06
Temperature range, min.312.15
Temperature range, max.566.15
Pvap 5.06 kPa 312.15 Calculated Property
Pvap 17.95 kPa 340.37 Calculated Property
Pvap 50.73 kPa 368.59 Calculated Property
Pvap 120.78 kPa 396.82 Calculated Property
Pvap 251.92 kPa 425.04 Calculated Property
Pvap 474.06 kPa 453.26 Calculated Property
Pvap 822.84 kPa 481.48 Calculated Property
Pvap 1339.90 kPa 509.71 Calculated Property
Pvap 2074.15 kPa 537.93 Calculated Property
Pvap 3084.20 kPa 566.15 Calculated Property

Similar Compounds

2,3,5,6-Tetrafluoro-p-xylene. Benzene, (bromomethyl)pentafluoro-. Benzene, (chloromethyl)pentafluoro-. 2,3,5,6-Tetrafluorotoluene. Pentafluorobenzaldehyde. «alpha»,«alpha»,«alpha»,2,3,5,6-Heptafluoro-p-xylene. 2,3,4,5,6-Pentafluorobenzyl alcohol. 2,3,4,5,6-Pentafluorophenylacetonitrile. Benzene, ethenylpentafluoro-. Benzonitrile, pentafluoro-. 2,3,4,5,6-Pentafluorophenylacetic acid. Ethanal, PFBO # 1. Acetaldehyde oxime, o-[(pentafluorophenyl)methyl]-. Glycoldial, bis-O-pentafluorobenzyloxime. Benzene, pentafluoro(trifluoromethyl)-.

Find more compounds similar to Benzene, pentafluoromethyl-.

Sources

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