Chemical Properties of Benzene, 1,3-dibromo- (CAS 108-36-1)

Benzene, 1,3-dibromo-

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InChI
InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChI Key
JSRLURSZEMLAFO-UHFFFAOYSA-N
Formula
C6H4Br2
SMILES
Brc1cccc(Br)c1
Molecular Weight1
235.90
CAS
108-36-1
Other Names
  • 1,3-DIBROMOBENZENE
  • Benzene, m-dibromo-
  • m-Dibromobenzene
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Physical Properties

Property Value Unit Source
Δf 131.06 kJ/mol Joback Calculated Property
Δfgas 110.55 kJ/mol Joback Calculated Property
Δf(+) ion 1000.00 ± 10.00 kJ/mol NIST
ΔfH(+) ion,0K 1020.00 ± 10.00 kJ/mol NIST
Δfus 15.52 kJ/mol Joback Calculated Property
Δvap 44.76 kJ/mol Joback Calculated Property
IE [8.85; 9.10] eV Show Hide
IE 9.01 ± 0.05 eV NIST
IE 9.01 ± 0.02 eV NIST
IE 8.95 ± 0.02 eV NIST
IE Outlier 8.85 eV NIST
IE 9.07 eV NIST
IE 9.05 ± 0.03 eV NIST
IE 9.10 eV NIST
log10WS [-3.54; -3.54]   Show Hide
log10WS -3.54 Aq. Sol...
log10WS -3.54 Estimat...
logPoct/wat 3.212 Crippen Calculated Property
McVol 106.640 ml/mol McGowan Calculated Property
Pc 5569.17 kPa Joback Calculated Property
Inp [1162.20; 1197.00]   Show Hide
Inp 1197.00 NIST
Inp 1162.20 NIST
Inp 1190.00 NIST
Inp 1190.00 NIST
Inp 1197.00 NIST
Inp 1197.00 NIST
Inp 1162.20 NIST
I [1756.00; 1756.00]   Show Hide
I 1756.00 NIST
I 1756.00 NIST
Tboil 491.20 K NIST
Tc 757.23 K Joback Calculated Property
Tfus [266.00; 266.25] K Show Hide
Tfus 266.00 ± 1.50 K NIST
Tfus 266.25 ± 0.50 K NIST
Vc 0.388 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [163.98; 202.93] J/mol×K [500.66; 757.23] Show Hide
Cp,gas 163.98 J/mol×K 500.66 Joback Calculated Property
Cp,gas 172.09 J/mol×K 543.42 Joback Calculated Property
Cp,gas 179.47 J/mol×K 586.18 Joback Calculated Property
Cp,gas 186.19 J/mol×K 628.94 Joback Calculated Property
Cp,gas 192.30 J/mol×K 671.70 Joback Calculated Property
Cp,gas 197.86 J/mol×K 714.47 Joback Calculated Property
Cp,gas 202.93 J/mol×K 757.23 Joback Calculated Property
Cp,liquid [176.01; 192.00] J/mol×K [283.15; 353.15] Show Hide
Cp,liquid 176.01 J/mol×K 283.15 Heat Ca...
Cp,liquid 176.40 J/mol×K 285.15 Heat Ca...
Cp,liquid 176.71 J/mol×K 287.15 Heat Ca...
Cp,liquid 177.04 J/mol×K 289.15 Heat Ca...
Cp,liquid 177.38 J/mol×K 291.15 Heat Ca...
Cp,liquid 177.72 J/mol×K 293.15 Heat Ca...
Cp,liquid 178.08 J/mol×K 295.15 Heat Ca...
Cp,liquid 178.44 J/mol×K 297.15 Heat Ca...
Cp,liquid 192.00 J/mol×K 298.15 NIST
Cp,liquid 178.81 J/mol×K 299.15 Heat Ca...
Cp,liquid 179.19 J/mol×K 301.15 Heat Ca...
Cp,liquid 179.58 J/mol×K 303.15 Heat Ca...
Cp,liquid 179.97 J/mol×K 305.15 Heat Ca...
Cp,liquid 180.37 J/mol×K 307.15 Heat Ca...
Cp,liquid 180.78 J/mol×K 309.15 Heat Ca...
Cp,liquid 181.19 J/mol×K 311.15 Heat Ca...
Cp,liquid 181.60 J/mol×K 313.15 Heat Ca...
Cp,liquid 182.01 J/mol×K 315.15 Heat Ca...
Cp,liquid 182.43 J/mol×K 317.15 Heat Ca...
Cp,liquid 182.85 J/mol×K 319.15 Heat Ca...
Cp,liquid 183.28 J/mol×K 321.15 Heat Ca...
Cp,liquid 183.70 J/mol×K 323.15 Heat Ca...
Cp,liquid 184.13 J/mol×K 325.15 Heat Ca...
Cp,liquid 184.55 J/mol×K 327.15 Heat Ca...
Cp,liquid 184.98 J/mol×K 329.15 Heat Ca...
Cp,liquid 185.40 J/mol×K 331.15 Heat Ca...
Cp,liquid 185.83 J/mol×K 333.15 Heat Ca...
Cp,liquid 186.25 J/mol×K 335.15 Heat Ca...
Cp,liquid 186.67 J/mol×K 337.15 Heat Ca...
Cp,liquid 187.08 J/mol×K 339.15 Heat Ca...
Cp,liquid 187.49 J/mol×K 341.15 Heat Ca...
Cp,liquid 187.90 J/mol×K 343.15 Heat Ca...
Cp,liquid 188.30 J/mol×K 345.15 Heat Ca...
Cp,liquid 188.70 J/mol×K 347.15 Heat Ca...
Cp,liquid 189.09 J/mol×K 349.15 Heat Ca...
Cp,liquid 189.47 J/mol×K 351.15 Heat Ca...
Cp,liquid 189.85 J/mol×K 353.15 Heat Ca...
η [0.0003533; 0.0018711] Pa×s [315.92; 500.66] Show Hide
η 0.0018711 Pa×s 315.92 Joback Calculated Property
η 0.0012528 Pa×s 346.71 Joback Calculated Property
η 0.0008955 Pa×s 377.50 Joback Calculated Property
η 0.0006734 Pa×s 408.29 Joback Calculated Property
η 0.0005270 Pa×s 439.08 Joback Calculated Property
η 0.0004259 Pa×s 469.87 Joback Calculated Property
η 0.0003533 Pa×s 500.66 Joback Calculated Property
ΔfusH [13.21; 14.22] kJ/mol [266.25; 266.30] Show Hide
ΔfusH 14.22 kJ/mol 266.25 NIST
ΔfusH 13.21 kJ/mol 266.30 NIST
ΔfusH 13.21 kJ/mol 266.30 NIST
ΔvapH 48.30 kJ/mol 458.50 NIST
ΔfusS 53.40 J/mol×K 266.25 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 339.20 K 0.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [363.28; 523.09] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43239e+01
Coefficient B-4.02376e+03
Coefficient C-7.66160e+01
Temperature range, min.363.28
Temperature range, max.523.09
Pvap 1.33 kPa 363.28 Calculated Property
Pvap 3.02 kPa 381.04 Calculated Property
Pvap 6.26 kPa 398.79 Calculated Property
Pvap 12.02 kPa 416.55 Calculated Property
Pvap 21.64 kPa 434.31 Calculated Property
Pvap 36.84 kPa 452.06 Calculated Property
Pvap 59.78 kPa 469.82 Calculated Property
Pvap 93.02 kPa 487.58 Calculated Property
Pvap 139.53 kPa 505.33 Calculated Property
Pvap 202.67 kPa 523.09 Calculated Property
Pvap [2.39e-03; 4788.21] kPa [266.25; 761.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.02731e+01
Coefficient B-9.55542e+03
Coefficient C-1.08844e+01
Coefficient D5.13030e-06
Temperature range, min.266.25
Temperature range, max.761.00
Pvap 2.39e-03 kPa 266.25 Calculated Property
Pvap 0.17 kPa 321.22 Calculated Property
Pvap 2.87 kPa 376.19 Calculated Property
Pvap 20.80 kPa 431.17 Calculated Property
Pvap 89.45 kPa 486.14 Calculated Property
Pvap 274.29 kPa 541.11 Calculated Property
Pvap 672.04 kPa 596.08 Calculated Property
Pvap 1415.75 kPa 651.06 Calculated Property
Pvap 2693.55 kPa 706.03 Calculated Property
Pvap 4788.21 kPa 761.00 Calculated Property

Similar Compounds

Benzene, bromo-. Benzene, 1,2,4-tribromo-. Benzene, 1,2-dibromo-. 1,2,3-TRIBROMOBENZENE. Benzene, 1,4-dibromo-. Benzene, 1,3,5-tribromo-. 1,2,3,4-tetrabromobenzene. benzene, 1,2,3,5-tetrabromo-. 2,4-Dibromo-1-fluorobenzene. Benzene, 1,2,4,5-tetrabromo-. Benzene, 1-bromo-3-chloro-. Benzene, 1-bromo-3-iodo-. Benzene, 1-bromo-3-fluoro-. Benzene, 1-bromo-4-chloro-. p-Bromofluorobenzene.

Find more compounds similar to Benzene, 1,3-dibromo-.

Sources

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