Chemical Properties of Benzene, 1,3,5-trichloro- (CAS 108-70-3)

Benzene, 1,3,5-trichloro-

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InChI
InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI Key
XKEFYDZQGKAQCN-UHFFFAOYSA-N
Formula
C6H3Cl3
SMILES
Clc1cc(Cl)cc(Cl)c1
Molecular Weight1
181.45
CAS
108-70-3
Other Names
  • 1,3,5-Trichlorobenzene
  • SYM-TRICHLOROBENZENE
  • UN 2321
  • s-Trichlorobenzene
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Physical Properties

Property Value Unit Source
Δcsolid [-2785.40; -2781.96] kJ/mol Show
Δcsolid -2785.40 ± 1.30 kJ/mol NIST
Δcsolid -2781.96 ± 0.51 kJ/mol NIST
EA 0.34 eV NIST
Δf 57.00 kJ/mol Joback Calculated Property
Δfgas [-13.36; -2.60] kJ/mol Show
Δfgas -2.60 ± 1.40 kJ/mol NIST
Δfgas -13.36 kJ/mol NIST
Δfsolid -75.30 ± 1.30 kJ/mol NIST
Δfus 17.56 kJ/mol Low-Tem...
Δsub [54.02; 72.70] kJ/mol Show
Δsub 72.70 ± 0.50 kJ/mol NIST
Δsub 54.02 kJ/mol NIST
Δsub 72.70 ± 0.50 kJ/mol NIST
Δvap 59.00 kJ/mol NIST
IE [9.20; 9.50] eV Show
IE 9.30 ± 0.06 eV NIST
IE 9.20 eV NIST
IE 9.32 ± 0.03 eV NIST
IE 9.30 eV NIST
IE 9.34 ± 0.02 eV NIST
IE Outlier 9.50 ± 0.15 eV NIST
IE 9.36 eV NIST
log10WS [-4.54; -4.44]   Show
log10WS -4.54 Aq. Sol...
log10WS -4.48 Estimat...
log10WS -4.44 Rytting...
logPoct/wat 3.647 Crippen Calculated Property
McVol 108.360 ml/mol McGowan Calculated Property
Pc 3886.79 kPa Joback Calculated Property
Inp [190.00; 1165.10]   Show
Inp 1150.00 NIST
Inp 1162.50 NIST
Inp 1153.70 NIST
Inp 1165.10 NIST
Inp 1146.29 NIST
Inp 1122.94 NIST
Inp 1133.72 NIST
Inp 1091.00 NIST
Inp 1131.00 NIST
Inp 1150.00 NIST
Inp 1131.00 NIST
Inp 1144.00 NIST
Inp 1150.00 NIST
Inp 1117.64 NIST
Inp 1122.48 NIST
Inp 1127.13 NIST
Inp 1128.00 NIST
Inp 1123.00 NIST
Inp 1115.00 NIST
Inp 1109.00 NIST
Inp 1112.00 NIST
Inp 1146.00 NIST
Inp 1084.00 NIST
Inp 1095.00 NIST
Inp 1096.00 NIST
Inp 1100.00 NIST
Inp 1112.00 NIST
Inp 1131.00 NIST
Inp 1151.00 NIST
Inp 1106.00 NIST
Inp 1145.00 NIST
Inp 1158.00 NIST
Inp 1113.00 NIST
Inp Outlier 190.00 NIST
Inp Outlier 190.00 NIST
Inp 1150.00 NIST
Inp 1122.94 NIST
Inp 1131.00 NIST
I [1515.00; 1590.00]   Show
I 1550.00 NIST
I 1569.30 NIST
I 1589.50 NIST
I 1515.00 NIST
I 1515.00 NIST
I 1545.00 NIST
I 1590.00 NIST
I 1517.29 NIST
I 1517.48 NIST
I 1529.51 NIST
I 1517.60 NIST
I 1550.00 NIST
I 1545.00 NIST
Tboil 481.20 K NIST
Tc 725.08 K Joback Calculated Property
Tfus [334.45; 337.30] K Show
Tfus 337.30 K Aq. Sol...
Tfus 334.45 ± 0.20 K NIST
Tfus 336.30 ± 0.20 K NIST
Tfus 336.70 ± 0.10 K NIST
Tfus 336.20 ± 0.50 K NIST
Vc 0.410 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [168.92; 204.95] J/mol×K [485.61; 725.08] Show
T(K)
Ideal gas heat capacity (J/mol×K)
170
175
180
185
190
195
200
205
500
600
700
Cp,gas 168.92 J/mol×K 485.61 Joback Calculated Property
Cp,gas 176.13 J/mol×K 525.52 Joback Calculated Property
Cp,gas 182.83 J/mol×K 565.43 Joback Calculated Property
Cp,gas 189.04 J/mol×K 605.34 Joback Calculated Property
Cp,gas 194.78 J/mol×K 645.26 Joback Calculated Property
Cp,gas 200.07 J/mol×K 685.17 Joback Calculated Property
Cp,gas 204.95 J/mol×K 725.08 Joback Calculated Property
η [0.0003053; 0.0016757] Pa×s [298.60; 485.61] Show
T(K)
Dynamic viscosity (Pa×s)
5.00e-4
1.00e-3
1.50e-3
300
350
400
450
η 0.0016757 Pa×s 298.60 Joback Calculated Property
η 0.0011033 Pa×s 329.77 Joback Calculated Property
η 0.0007808 Pa×s 360.94 Joback Calculated Property
η 0.0005838 Pa×s 392.11 Joback Calculated Property
η 0.0004556 Pa×s 423.27 Joback Calculated Property
η 0.0003679 Pa×s 454.44 Joback Calculated Property
η 0.0003053 Pa×s 485.61 Joback Calculated Property
ΔfusH [17.56; 18.20] kJ/mol [335.90; 336.70] Show
ΔfusH 17.56 kJ/mol 335.90 NIST
ΔfusH 18.20 kJ/mol 336.70 NIST
ΔfusH 18.20 kJ/mol 336.70 NIST
ΔsubH 56.50 kJ/mol 291.50 NIST
ΔvapH [48.80; 51.70] kJ/mol [337.00; 409.00] Show
ΔvapH 51.70 kJ/mol 337.00 NIST
ΔvapH 50.30 ± 0.10 kJ/mol 376.50 NIST
ΔvapH 48.80 kJ/mol 409.00 NIST
ρs 1446.70 kg/m3 298.15 Determi...

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.66; 202.63] kPa [336.65; 514.68] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37196e+01
Coefficient B-3.69674e+03
Coefficient C-7.50210e+01
Temperature range, min.336.65
Temperature range, max.514.68
T(K)
Vapor pressure (kPa)
0
50
100
150
200
350
400
450
500
Pvap 0.66 kPa 336.65 Calculated Property
Pvap 1.79 kPa 356.43 Calculated Property
Pvap 4.25 kPa 376.21 Calculated Property
Pvap 9.05 kPa 395.99 Calculated Property
Pvap 17.65 kPa 415.77 Calculated Property
Pvap 32.01 kPa 435.56 Calculated Property
Pvap 54.57 kPa 455.34 Calculated Property
Pvap 88.23 kPa 475.12 Calculated Property
Pvap 136.36 kPa 494.90 Calculated Property
Pvap 202.63 kPa 514.68 Calculated Property
Pvap [0.62; 102.50] kPa [336.15; 482.15] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.93529e+01
Coefficient B-8.25027e+03
Coefficient C-7.86946e+00
Coefficient D4.33587e-06
Temperature range, min.336.15
Temperature range, max.482.15
T(K)
Vapor pressure (kPa)
0
20
40
60
80
100
350
400
450
Pvap 0.62 kPa 336.15 Calculated Property
Pvap 1.39 kPa 352.37 Calculated Property
Pvap 2.87 kPa 368.59 Calculated Property
Pvap 5.53 kPa 384.82 Calculated Property
Pvap 10.05 kPa 401.04 Calculated Property
Pvap 17.34 kPa 417.26 Calculated Property
Pvap 28.59 kPa 433.48 Calculated Property
Pvap 45.26 kPa 449.71 Calculated Property
Pvap 69.18 kPa 465.93 Calculated Property
Pvap 102.50 kPa 482.15 Calculated Property

Similar Compounds

Benzene, 1,2,3,5-tetrachloro-. Benzene, 1,3-dichloro-. Benzene, 1,2,3-trichloro-. Benzene, 1,2,4-trichloro-. Benzene, 1,2-dichloro-. 1,2-Dichlorobenzene-D4. Benzene, chloro-. Benzene, pentachloro-. Benzene,1,3-dichloro-5-fluoro-. Benzene, 1,2,3,4-tetrachloro-. 1-Bromo-2,4,6-trichlorobenzene. Benzene, 1,4-dichloro-. 1,4-Dichlorobenzene-D4. Benzene, 1-bromo-3,5-dichloro-. Benzene, 1,2,4,5-tetrachloro-.

Find more compounds similar to Benzene, 1,3,5-trichloro-.

Mixtures

Sources

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