Chemical Properties of Benzene, 1,2,3-trichloro- (CAS 87-61-6)

Benzene, 1,2,3-trichloro-

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InChI
InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key
RELMFMZEBKVZJC-UHFFFAOYSA-N
Formula
C6H3Cl3
SMILES
Clc1cccc(Cl)c1Cl
Molecular Weight1
181.45
CAS
87-61-6
Other Names
  • 1,2,3-Trichlorobenzene
  • 1,2,6-Trichlorobenzene
  • UN 2321
  • VIC-TRICHLOROBENZENE
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Physical Properties

Property Value Unit Source
Δcsolid [-2793.80; -2789.93] kJ/mol Show Hide
Δcsolid -2793.80 ± 1.60 kJ/mol NIST
Δcsolid -2789.93 kJ/mol NIST
Δf 57.00 kJ/mol Joback Calculated Property
Δfgas [3.78; 8.20] kJ/mol Show Hide
Δfgas 8.20 ± 1.80 kJ/mol NIST
Δfgas 3.78 kJ/mol NIST
Δfsolid [-70.78; -66.90] kJ/mol Show Hide
Δfsolid -66.90 ± 1.70 kJ/mol NIST
Δfsolid -70.78 kJ/mol NIST
Δfus 17.15 kJ/mol Joback Calculated Property
Δsub [75.10; 75.14] kJ/mol Show Hide
Δsub 75.14 ± 0.75 kJ/mol NIST
Δsub 75.10 ± 0.75 kJ/mol NIST
Δvap 57.20 kJ/mol NIST
IE [9.18; 9.22] eV Show Hide
IE 9.18 ± 0.03 eV NIST
IE 9.22 eV NIST
log10WS [-4.22; -3.76]   Show Hide
log10WS -4.22 Aq. Sol...
log10WS -4.00 Estimat...
log10WS -3.76 Rytting...
logPoct/wat 3.647 Crippen Calculated Property
McVol 108.360 ml/mol McGowan Calculated Property
Pc 3886.79 kPa Joback Calculated Property
Inp [207.00; 1228.50]   Show Hide
Inp 1224.60 NIST
Inp 1228.50 NIST
Inp 1228.50 NIST
Inp 1207.90 NIST
Inp 1224.28 NIST
Inp 1196.19 NIST
Inp 1209.31 NIST
Inp 1211.00 NIST
Inp 1228.00 NIST
Inp 1211.00 NIST
Inp 1217.00 NIST
Inp 1228.00 NIST
Inp 1189.00 NIST
Inp 1194.94 NIST
Inp 1201.02 NIST
Inp 1206.69 NIST
Inp 1204.00 NIST
Inp 1199.00 NIST
Inp 1190.00 NIST
Inp 1183.00 NIST
Inp 1207.00 NIST
Inp 1214.00 NIST
Inp 1204.00 NIST
Inp 1182.00 NIST
Inp 1211.00 NIST
Inp 1197.00 NIST
Inp 1194.00 NIST
Inp 1176.00 NIST
Inp 1191.00 NIST
Inp 1206.00 NIST
Inp 1188.00 NIST
Inp Outlier 207.00 NIST
Inp 1194.94 NIST
Inp 1190.00 NIST
Inp 1204.00 NIST
Inp Outlier 207.00 NIST
I [1705.00; 1775.00]   Show Hide
I 1743.20 NIST
I 1768.60 NIST
I 1705.00 NIST
I 1705.00 NIST
I 1735.00 NIST
I 1775.00 NIST
I 1757.28 NIST
I 1742.31 NIST
I 1744.44 NIST
I 1726.64 NIST
I 1757.28 NIST
Tboil 491.70 K NIST
Tc 725.08 K Joback Calculated Property
Tfus [323.75; 326.90] K Show Hide
Tfus 326.67 K Aq. Sol...
Tfus 323.75 ± 0.20 K NIST
Tfus 325.80 ± 0.20 K NIST
Tfus 326.90 ± 0.10 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 Hide
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
Cp,liquid [201.44; 206.30] J/mol×K [327.15; 353.15] Show Hide
Cp,liquid 201.44 J/mol×K 327.15 Heat Ca...
Cp,liquid 201.80 J/mol×K 329.15 Heat Ca...
Cp,liquid 202.16 J/mol×K 331.15 Heat Ca...
Cp,liquid 202.52 J/mol×K 333.15 Heat Ca...
Cp,liquid 202.88 J/mol×K 335.15 Heat Ca...
Cp,liquid 203.25 J/mol×K 337.15 Heat Ca...
Cp,liquid 203.62 J/mol×K 339.15 Heat Ca...
Cp,liquid 204.00 J/mol×K 341.15 Heat Ca...
Cp,liquid 204.38 J/mol×K 343.15 Heat Ca...
Cp,liquid 204.75 J/mol×K 345.15 Heat Ca...
Cp,liquid 205.14 J/mol×K 347.15 Heat Ca...
Cp,liquid 205.52 J/mol×K 349.15 Heat Ca...
Cp,liquid 205.91 J/mol×K 351.15 Heat Ca...
Cp,liquid 206.30 J/mol×K 353.15 Heat Ca...
η [0.0003053; 0.0016757] Pa×s [298.60; 485.61] Show Hide
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 [17.25; 20.50] kJ/mol [322.90; 326.90] Show Hide
ΔfusH 17.25 kJ/mol 322.90 NIST
ΔfusH 20.50 kJ/mol 326.90 NIST
ΔfusH 20.50 kJ/mol 326.90 NIST
ΔsubH [65.70; 72.70] kJ/mol [285.50; 296.00] Show Hide
ΔsubH 72.70 kJ/mol 285.50 NIST
ΔsubH 65.70 kJ/mol 296.00 NIST
ΔvapH [47.40; 54.50] kJ/mol [285.50; 402.50] Show Hide
ΔvapH 54.30 kJ/mol 285.50 NIST
ΔvapH 54.50 kJ/mol 325.00 NIST
ΔvapH 53.50 kJ/mol 338.00 NIST
ΔvapH 47.40 kJ/mol 402.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.23; 202.64] kPa [325.65; 525.76] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37328e+01
Coefficient B-3.77196e+03
Coefficient C-7.78560e+01
Temperature range, min.325.65
Temperature range, max.525.76
Pvap 0.23 kPa 325.65 Calculated Property
Pvap 0.79 kPa 347.88 Calculated Property
Pvap 2.29 kPa 370.12 Calculated Property
Pvap 5.69 kPa 392.35 Calculated Property
Pvap 12.57 kPa 414.59 Calculated Property
Pvap 25.15 kPa 436.82 Calculated Property
Pvap 46.43 kPa 459.06 Calculated Property
Pvap 80.09 kPa 481.29 Calculated Property
Pvap 130.52 kPa 503.53 Calculated Property
Pvap 202.64 kPa 525.76 Calculated Property
Pvap [0.61; 100.30] kPa [349.15; 493.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.40186e+02
Coefficient B-1.21803e+04
Coefficient C-1.82796e+01
Coefficient D1.01556e-05
Temperature range, min.349.15
Temperature range, max.493.15
Pvap 0.61 kPa 349.15 Calculated Property
Pvap 1.39 kPa 365.15 Calculated Property
Pvap 2.90 kPa 381.15 Calculated Property
Pvap 5.63 kPa 397.15 Calculated Property
Pvap 10.23 kPa 413.15 Calculated Property
Pvap 17.57 kPa 429.15 Calculated Property
Pvap 28.77 kPa 445.15 Calculated Property
Pvap 45.18 kPa 461.15 Calculated Property
Pvap 68.39 kPa 477.15 Calculated Property
Pvap 100.30 kPa 493.15 Calculated Property

Similar Compounds

Benzene, 1,2-dichloro-. 1,2-Dichlorobenzene-D4. Benzene, 1,2,3,4-tetrachloro-. Benzene, 1,3-dichloro-. Benzene, 1,2,3,5-tetrachloro-. Benzene, 1,2,4-trichloro-. Benzene, chloro-. Benzene, pentachloro-. Benzene, 1,3,5-trichloro-. Benzene, 1,4-dichloro-. 1,4-Dichlorobenzene-D4. Benzene, 1,2,4,5-tetrachloro-. 1,3-Cyclohexadien-5-yne,1,4-dichloro-. 2,6-Dichloroiodobenzene. 1,3-Dichloro-2-fluorobenzene.

Find more compounds similar to Benzene, 1,2,3-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.