Chemical Properties of Benzene, pentafluoro- (CAS 363-72-4)

Benzene, pentafluoro-

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InChI
InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChI Key
WACNXHCZHTVBJM-UHFFFAOYSA-N
Formula
C6HF5
SMILES
Fc1cc(F)c(F)c(F)c1F
Molecular Weight1
168.06
CAS
363-72-4
Other Names
  • 1,2,3,4,5-PENTAFLUOROBENZENE
  • Pentafluorobenzene
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Physical Properties

Property Value Unit Source
ω 0.3730 KDB
PAff 690.40 kJ/mol NIST
BasG 662.70 kJ/mol NIST
Δcliquid -2557.00 ± 1.40 kJ/mol NIST
EA [0.43; 0.73] eV Show
EA 0.43 ± 0.09 eV NIST
EA 0.73 ± 0.08 eV NIST
Δf -900.52 kJ/mol Joback Calculated Property
Δfgas -806.00 ± 1.40 kJ/mol NIST
Δfliquid -842.20 ± 1.40 kJ/mol NIST
Δfus 19.18 kJ/mol Joback Calculated Property
Δvap [36.20; 36.39] kJ/mol Show
Δvap 36.36 kJ/mol NIST
Δvap 36.20 kJ/mol NIST
Δvap 36.20 ± 0.20 kJ/mol NIST
Δvap 36.39 kJ/mol NIST
IE [9.63; 9.90] eV Show
IE 9.63 eV NIST
IE 9.73 eV NIST
IE 9.63 ± 0.00 eV NIST
IE 9.82 eV NIST
IE 9.84 eV NIST
IE 9.90 eV NIST
IE 9.64 eV NIST
log10WS -3.13 Crippen Calculated Property
logPoct/wat 2.382 Crippen Calculated Property
McVol 80.490 ml/mol McGowan Calculated Property
Pc [3470.00; 3531.00] kPa Show
Pc 3531.00 kPa KDB
Pc 3470.00 kPa NIST
Pc 3531.00 ± 5.00 kPa NIST
Pc 3516.00 ± 10.00 kPa NIST
ρc 517.64 ± 0.50 kg/m3 NIST
Inp [589.00; 594.00]   Show
Inp 589.00 NIST
Inp 594.00 NIST
Inp 589.00 NIST
liquid [275.90; 279.49] J/mol×K Show
liquid 279.49 J/mol×K NIST
liquid 275.90 J/mol×K NIST
Tboil [357.50; 358.90] K Show
Tboil 358.89 K KDB
Tboil 358.00 K NIST
Tboil 358.20 K NIST
Tboil 357.50 ± 0.50 K NIST
Tboil 358.90 K NIST
Tboil 358.89 ± 0.00 K NIST
Tboil 358.89 ± 0.01 K NIST
Tboil 357.75 ± 0.05 K NIST
Tc [530.80; 532.00] K Show
Tc 530.97 K KDB
Tc 531.04 K Density...
Tc 532.00 K NIST
Tc 530.80 K NIST
Tc 530.96 ± 0.05 K NIST
Tc 530.97 ± 0.03 K NIST
Tc 531.95 ± 0.05 K NIST
Tfus 225.80 K KDB
Ttriple [225.67; 225.83] K Show
Ttriple 225.67 ± 0.02 K NIST
Ttriple 225.83 ± 0.02 K NIST
Vc 0.324 m3/kmol KDB
Zc 0.2591410 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [150.60; 181.83] J/mol×K [379.63; 545.30] Show
T(K)
Ideal gas heat capacity (J/mol×K)
150
155
160
165
170
175
180
400
450
500
Cp,gas 150.60 J/mol×K 379.63 Joback Calculated Property
Cp,gas 156.29 J/mol×K 407.24 Joback Calculated Property
Cp,gas 161.79 J/mol×K 434.85 Joback Calculated Property
Cp,gas 167.09 J/mol×K 462.46 Joback Calculated Property
Cp,gas 172.20 J/mol×K 490.07 Joback Calculated Property
Cp,gas 177.11 J/mol×K 517.69 Joback Calculated Property
Cp,gas 181.83 J/mol×K 545.30 Joback Calculated Property
Cp,liquid [204.70; 210.79] J/mol×K [298.15; 298.15] Show
Cp,liquid 210.79 J/mol×K 298.15 NIST
Cp,liquid 204.70 J/mol×K 298.15 NIST
ΔfusH [10.85; 10.88] kJ/mol [225.67; 225.83] Show
ΔfusH 10.88 kJ/mol 225.67 NIST
ΔfusH 10.88 kJ/mol 225.70 NIST
ΔfusH 10.88 kJ/mol 225.70 NIST
ΔfusH 10.85 kJ/mol 225.83 NIST
ΔvapH [32.00; 35.70] kJ/mol [190.00; 502.00] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
32
33
34
35
36
200
300
400
500
ΔvapH 34.78 ± 0.01 kJ/mol 190.00 NIST
ΔvapH 35.70 kJ/mol 328.00 NIST
ΔvapH 34.80 kJ/mol 345.00 NIST
ΔvapH 32.15 kJ/mol 358.90 NIST
ΔvapH 33.50 kJ/mol 377.50 NIST
ΔvapH 32.60 kJ/mol 436.00 NIST
ΔvapH 32.00 kJ/mol 451.50 NIST
ΔvapH 32.20 kJ/mol 502.00 NIST
ρl [1453.00; 1511.00] kg/m3 [296.90; 327.60] Show
ρl 1511.00 kg/m3 296.90 Liquid-...
ρl 1453.00 kg/m3 327.60 Liquid-...
ΔfusS [48.06; 48.22] J/mol×K [225.67; 225.83] Show
ΔfusS 48.22 J/mol×K 225.67 NIST
ΔfusS 48.06 J/mol×K 225.83 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [264.89; 381.18] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43600e+01
Coefficient B-2.94750e+03
Coefficient C-5.54340e+01
Temperature range, min.264.89
Temperature range, max.381.18
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
Pvap 1.33 kPa 264.89 Calculated Property
Pvap 3.02 kPa 277.81 Calculated Property
Pvap 6.25 kPa 290.73 Calculated Property
Pvap 12.01 kPa 303.65 Calculated Property
Pvap 21.61 kPa 316.57 Calculated Property
Pvap 36.79 kPa 329.50 Calculated Property
Pvap 59.70 kPa 342.42 Calculated Property
Pvap 92.93 kPa 355.34 Calculated Property
Pvap 139.46 kPa 368.26 Calculated Property
Pvap 202.66 kPa 381.18 Calculated Property
Pvap [26.71; 3318.95] kPa [322.00; 526.82] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.99831e+01
Coefficient B-7.29499e+03
Coefficient C-1.12510e+01
Coefficient D8.93524e-06
Temperature range, min.322.00
Temperature range, max.526.82
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
350
400
450
500
Pvap 26.71 kPa 322.00 Calculated Property
Pvap 63.28 kPa 344.76 Calculated Property
Pvap 132.10 kPa 367.52 Calculated Property
Pvap 249.42 kPa 390.27 Calculated Property
Pvap 434.73 kPa 413.03 Calculated Property
Pvap 710.69 kPa 435.79 Calculated Property
Pvap 1103.43 kPa 458.55 Calculated Property
Pvap 1643.44 kPa 481.30 Calculated Property
Pvap 2367.12 kPa 504.06 Calculated Property
Pvap 3318.95 kPa 526.82 Calculated Property

Similar Compounds

Benzene, 1,2,3,5-tetrafluoro-. Benzene, 1,2,4,5-tetrafluoro-. Benzene, 1,2,3,4-tetrafluoro-. 1,2,3-Trifluorobenzene. 1,2,4-Trifluorobenzene. 1-Chloro-2,3,5,6-tetrafluorobenzene. 1-Bromo-2,3,4,6-tetrafluorobenzene. 1-Bromo-2,3,5,6-tetrafluorobenzene. 1,3,5-Trifluorobenzene. Benzene, 1-bromo-2,3,4,5-tetrafluoro-. Benzene, 1,2-difluoro-. Benzene, 1,3-difluoro-. 2,3,5,6-Tetrafluorophenol. 2,3,5,6-Tetrafluorothiophenol. Benzene, 1-bromo-2,4,5-trifluoro-.

Find more compounds similar to Benzene, pentafluoro-.

Sources

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