Chemical Properties of Benzene, fluoro- (CAS 462-06-6)

Benzene, fluoro-

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InChI
InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChI Key
PYLWMHQQBFSUBP-UHFFFAOYSA-N
Formula
C6H5F
SMILES
Fc1ccccc1
Molecular Weight1
96.10
CAS
462-06-6
Other Names
  • Fluorobenzene
  • Fluorobenzenes
  • Monofluorobenzene
  • PHENYL FLUORIDE
  • UN 2387
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Physical Properties

Property Value Unit Source
ω 0.2440 KDB
PAff 755.90 kJ/mol NIST
BasG 726.60 kJ/mol NIST
Δcliquid [-3126.00; -3103.90] kJ/mol Show Hide
Δcliquid -3103.90 ± 1.20 kJ/mol NIST
Δcliquid -3126.00 kJ/mol NIST
μ 1.40 debye KDB
Δf -69.08 kJ/mol KDB
Δfgas -116.60 kJ/mol KDB
Δfliquid -150.80 ± 1.40 kJ/mol NIST
Δfus 8.42 kJ/mol Joback Calculated Property
Δvap [34.50; 34.68] kJ/mol Show Hide
Δvap 34.68 kJ/mol NIST
Δvap 34.50 kJ/mol NIST
Δvap 34.53 kJ/mol NIST
Δvap 34.60 kJ/mol NIST
IE [9.11; 9.75] eV Show Hide
IE 9.20 ± 0.01 eV NIST
IE 9.20 eV NIST
IE 9.20 eV NIST
IE 9.22 eV NIST
IE 9.17 eV NIST
IE Outlier 9.75 eV NIST
IE 9.11 eV NIST
IE 9.20 eV NIST
IE 9.20 eV NIST
IE 9.18 eV NIST
IE 9.21 ± 0.04 eV NIST
IE 9.20 ± 0.01 eV NIST
IE 9.20 eV NIST
IE 9.20 ± 0.01 eV NIST
IE 9.22 eV NIST
IE 9.37 eV NIST
IE 9.19 eV NIST
IE 9.35 ± 0.03 eV NIST
log10WS [-1.80; -1.80]   Show Hide
log10WS -1.80 Aq. Sol...
log10WS -1.80 Estimat...
logPoct/wat 1.826 Crippen Calculated Property
McVol 73.410 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
NFPA Safety 3 KDB
Pc [4521.23; 4551.00] kPa Show Hide
Pc 4551.00 kPa KDB
Pc 4550.50 ± 5.06 kPa NIST
Pc 4521.23 ± 39.99 kPa NIST
Inp [643.00; 684.00]   Show Hide
Inp 664.90 NIST
Inp 671.50 NIST
Inp 672.60 NIST
Inp 663.20 NIST
Inp 668.00 NIST
Inp 673.90 NIST
Inp 664.60 NIST
Inp 666.00 NIST
Inp 680.00 NIST
Inp 680.00 NIST
Inp 671.00 NIST
Inp 651.30 NIST
Inp Outlier 643.00 NIST
Inp 681.00 NIST
Inp 664.10 NIST
Inp 674.00 NIST
Inp 674.00 NIST
Inp 659.40 NIST
Inp 654.40 NIST
Inp 664.00 NIST
Inp 664.00 NIST
Inp 663.00 NIST
Inp 674.00 NIST
Inp 681.00 NIST
Inp 684.00 NIST
I [992.00; 996.00]   Show Hide
I 996.00 NIST
I 992.00 NIST
liquid [195.00; 205.94] J/mol×K Show Hide
liquid 205.94 J/mol×K NIST
liquid 195.00 J/mol×K NIST
Tboil 357.88 K KDB
Tc [557.30; 560.10] K Show Hide
Tc 560.09 K KDB
Tc Outlier 557.30 K The Cri...
Tc 560.10 K NIST
Tc 560.10 ± 0.20 K NIST
Tc 560.07 ± 0.07 K NIST
Tc 559.70 ± 0.60 K NIST
Tfus [230.94; 231.75] K Show Hide
Tfus 230.94 K KDB
Tfus 231.75 K Aq. Sol...
Tfus 230.96 ± 0.06 K NIST
Tfus 231.25 ± 0.50 K NIST
Tfus 231.30 ± 1.00 K NIST
Tfus 231.25 ± 0.40 K NIST
Ttriple [230.92; 231.10] K Show Hide
Ttriple 230.92 ± 0.08 K NIST
Ttriple 230.94 ± 0.05 K NIST
Ttriple 231.10 ± 0.20 K NIST
Vc [0.269; 0.462] m3/kmol Show Hide
Vc 0.269 m3/kmol KDB
Vc 0.269 ± 0.008 m3/kmol NIST
Vc 0.462 ± 0.004 m3/kmol NIST
Zc 0.2628840 KDB
Zra 0.27 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [111.67; 160.26] J/mol×K [362.63; 563.38] Show Hide
Cp,gas 111.67 J/mol×K 362.63 Joback Calculated Property
Cp,gas 121.05 J/mol×K 396.09 Joback Calculated Property
Cp,gas 129.89 J/mol×K 429.55 Joback Calculated Property
Cp,gas 138.21 J/mol×K 463.01 Joback Calculated Property
Cp,gas 146.03 J/mol×K 496.46 Joback Calculated Property
Cp,gas 153.38 J/mol×K 529.92 Joback Calculated Property
Cp,gas 160.26 J/mol×K 563.38 Joback Calculated Property
Cp,liquid [146.29; 146.57] J/mol×K [298.10; 298.15] Show Hide
Cp,liquid 146.57 J/mol×K 298.10 NIST
Cp,liquid 146.29 J/mol×K 298.15 NIST
Cp,liquid 146.36 J/mol×K 298.15 NIST
ΔfusH [10.40; 11.31] kJ/mol [230.90; 231.10] Show Hide
ΔfusH 11.31 kJ/mol 230.90 NIST
ΔfusH 11.31 kJ/mol 230.90 NIST
ΔfusH 11.30 kJ/mol 230.94 NIST
ΔfusH 10.40 kJ/mol 231.10 NIST
ΔvapH [29.70; 33.60] kJ/mol [318.00; 529.00] Show Hide
ΔvapH 33.50 ± 0.10 kJ/mol 318.00 NIST
ΔvapH 32.40 ± 0.10 kJ/mol 337.00 NIST
ΔvapH 33.60 kJ/mol 353.00 NIST
ΔvapH 31.19 kJ/mol 357.90 NIST
ΔvapH 31.20 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 33.39 kJ/mol 358.10 KDB
ΔvapH 29.70 ± 0.10 kJ/mol 382.00 NIST
ΔvapH 31.80 kJ/mol 396.00 NIST
ΔvapH 31.90 kJ/mol 444.00 NIST
ΔvapH 31.00 kJ/mol 457.50 NIST
ΔvapH 30.90 kJ/mol 529.00 NIST
Pvap [2.98; 12.77] kPa [274.20; 303.20] Show Hide
Pvap 2.98 kPa 274.20 Vaporiz...
Pvap 3.64 kPa 278.20 Vaporiz...
Pvap 4.84 kPa 283.20 Vaporiz...
Pvap 6.26 kPa 288.20 Vaporiz...
Pvap 8.02 kPa 293.20 Vaporiz...
Pvap 10.29 kPa 298.20 Vaporiz...
Pvap 12.77 kPa 303.20 Vaporiz...
n0 [1.45630; 1.46300]   [298.15; 313.15] Show Hide
n0 1.46290 298.15 Thermop...
n0 1.46300 303.15 Refract...
n0 1.45940 308.15 Refract...
n0 1.45630 313.15 Refract...
ρl [985.00; 1036.89] kg/m3 [283.15; 330.10] Show Hide
ρl 1036.89 kg/m3 283.15 The den...
ρl 1030.93 kg/m3 288.15 The den...
ρl 1024.00 kg/m3 293.00 KDB
ρl 1024.96 kg/m3 293.15 The den...
ρl 1022.27 kg/m3 293.20 Isobari...
ρl 1022.27 kg/m3 293.20 Isobari...
ρl 1022.00 kg/m3 296.20 Liquid-...
ρl 1019.07 kg/m3 298.15 The den...
ρl 1013.03 kg/m3 303.15 The den...
ρl 985.00 kg/m3 330.10 Liquid-...
ΔfusS [44.99; 48.95] J/mol×K [230.94; 231.10] Show Hide
ΔfusS 48.95 J/mol×K 230.94 NIST
ΔfusS 44.99 J/mol×K 231.10 NIST
γ 0.03 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.15; 202.67] kPa [230.94; 382.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43937e+01
Coefficient B-3.10933e+03
Coefficient C-3.99230e+01
Temperature range, min.230.94
Temperature range, max.382.28
Pvap 0.15 kPa 230.94 Calculated Property
Pvap 0.57 kPa 247.76 Calculated Property
Pvap 1.74 kPa 264.57 Calculated Property
Pvap 4.56 kPa 281.39 Calculated Property
Pvap 10.54 kPa 298.20 Calculated Property
Pvap 22.00 kPa 315.02 Calculated Property
Pvap 42.19 kPa 331.83 Calculated Property
Pvap 75.36 kPa 348.65 Calculated Property
Pvap 126.78 kPa 365.46 Calculated Property
Pvap 202.67 kPa 382.28 Calculated Property
Pvap [0.15; 4492.60] kPa [230.94; 560.09] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.12733e+01
Coefficient B-5.96836e+03
Coefficient C-6.90360e+00
Coefficient D4.71669e-06
Temperature range, min.230.94
Temperature range, max.560.09
Pvap 0.15 kPa 230.94 Calculated Property
Pvap 2.04 kPa 267.51 Calculated Property
Pvap 13.63 kPa 304.08 Calculated Property
Pvap 57.19 kPa 340.66 Calculated Property
Pvap 175.01 kPa 377.23 Calculated Property
Pvap 428.73 kPa 413.80 Calculated Property
Pvap 894.66 kPa 450.37 Calculated Property
Pvap 1659.76 kPa 486.95 Calculated Property
Pvap 2821.49 kPa 523.52 Calculated Property
Pvap 4492.60 kPa 560.09 Calculated Property

Similar Compounds

Benzene, 1,3-difluoro-. Benzene, 1,4-difluoro-. Benzene, 1,2-difluoro-. 1,2,4-Trifluorobenzene. 1,2,3-Trifluorobenzene. Benzene, 1-chloro-4-fluoro-. Benzene, 1-chloro-3-fluoro-. Benzene, 1-fluoro-4-iodo-. Naphthalene, 2-fluoro-. Benzene, 1-fluoro-3-iodo-. 4-F-phenoxy. p-Bromofluorobenzene. Benzene, 1-fluoro-2-iodo-. Benzene, 1-chloro-2-fluoro-. 1,3,5-Trifluorobenzene.

Find more compounds similar to Benzene, fluoro-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.