Chemical Properties of Benzene, 1,2,4-trichloro- (CAS 120-82-1)

Benzene, 1,2,4-trichloro-

InChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChI Key
PBKONEOXTCPAFI-UHFFFAOYSA-N
Formula
C6H3Cl3
SMILES
Clc1ccc(Cl)c(Cl)c1
Molecular Weight1
181.45
CAS
120-82-1
Other Names
  • 1,2,4-Trichlorobenzol
  • 1,2,4-trichlorobenzene
  • 1,2,5-Trichlorobenzene
  • 1,3,4-Trichlorobenzene
  • AS-TRICHLOROBENZENE
  • Hipochem GM
  • Hostetex L-PEC
  • NSC 406697
  • Trojchlorobenzen
  • unsym-trichlorobenzene
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Physical Properties

Property Value Unit Source
ω 0.3510 Relay (1.0) Calculated Property
ΔcH°liquid [-2810.50; -2797.98] kJ/mol Show Hide
ΔcH°liquid -2810.50 ± 1.50 kJ/mol NIST
ΔcH°liquid -2797.98 ± 0.44 kJ/mol NIST
ΔfG° 57.00 kJ/mol Joback Calculated Property
ΔfH°gas [-8.05; 4.90] kJ/mol Show Hide
ΔfH°gas 4.90 ± 1.60 kJ/mol NIST
ΔfH°gas -8.05 kJ/mol NIST
ΔfH°liquid -50.20 ± 1.50 kJ/mol NIST
ΔfusH° 17.15 kJ/mol Joback Calculated Property
ΔvapH° [54.68; 57.60] kJ/mol Show Hide
ΔvapH° Outlier 57.60 kJ/mol NIST
ΔvapH° 55.50 ± 0.10 kJ/mol NIST
ΔvapH° 55.10 ± 0.50 kJ/mol NIST
ΔvapH° 54.68 kJ/mol NIST
ΔvapH° 55.50 ± 0.10 kJ/mol NIST
ΔvapH° 55.10 ± 0.50 kJ/mol NIST
IE 9.04 ± 0.03 eV NIST
log10WS [-3.60; -3.59]   Show Hide
log10WS -3.60 Aq. Solubility Prediction
log10WS -3.59 Estimated Solubility
logPoct/wat 3.647 Crippen Calculated Property
McVol 108.360 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 2 KDB
NFPA Safety 3 KDB
Pc 3886.79 kPa Joback Calculated Property
Inp [198.20; 1211.10]   Show Hide
Inp 1193.56 NIST
Inp 1193.67 NIST
Inp 1193.00 NIST
Inp 1189.60 NIST
Inp 1199.70 NIST
Inp 1211.10 NIST
Inp 1189.56 NIST
Inp 1164.56 NIST
Inp 1176.18 NIST
Inp 1177.00 NIST
Inp 1193.00 NIST
Inp 1177.00 NIST
Inp 1183.00 NIST
Inp 1193.00 NIST
Inp 1186.00 NIST
Inp 1177.00 NIST
Inp 1161.00 NIST
Inp 1166.00 NIST
Inp 1192.67 NIST
Inp 1193.06 NIST
Inp 1196.72 NIST
Inp 1196.78 NIST
Inp 1141.60 NIST
Inp 1158.50 NIST
Inp 1160.14 NIST
Inp 1166.23 NIST
Inp 1171.69 NIST
Inp 1168.00 NIST
Inp 1162.00 NIST
Inp 1157.00 NIST
Inp 1150.00 NIST
Inp 1152.00 NIST
Inp 1172.00 NIST
Inp 1160.00 NIST
Inp 1198.00 NIST
Inp 1142.00 NIST
Inp 1144.00 NIST
Inp 1145.00 NIST
Inp 1149.00 NIST
Inp 1170.00 NIST
Inp 1177.00 NIST
Inp 1174.00 NIST
Inp 1158.00 NIST
Inp 1145.00 NIST
Inp 1150.00 NIST
Inp 1150.00 NIST
Inp 1154.00 NIST
Inp Outlier 199.00 NIST
Inp Outlier 198.20 NIST
Inp 1142.00 NIST
I [1630.00; 1698.00]   Show Hide
I 1665.50 NIST
I 1688.60 NIST
I 1630.00 NIST
I 1630.00 NIST
I 1653.00 NIST
I 1698.00 NIST
I 1671.43 NIST
I 1659.76 NIST
I 1658.54 NIST
I 1643.59 NIST
Tboil 486.70 K NIST
Tc 731.16 K Relay (1.0) Calculated Property
Tfus [282.20; 290.10] K Show Hide
Tfus 290.10 ± 0.02 K NIST
Tfus 282.20 ± 4.00 K NIST
Tfus 289.70 ± 3.00 K NIST
Vc 0.403 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [188.00; 227.00] J/mol×K [290.00; 460.00] Show Hide
Cp,liquid 191.00 J/mol×K 290.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 194.25 J/mol×K 293.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 194.57 J/mol×K 295.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 194.90 J/mol×K 297.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 188.00 J/mol×K 297.95 NIST
Cp,liquid 194.90 J/mol×K 298.15 NIST
Cp,liquid 193.00 J/mol×K 298.15 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 194.60 J/mol×K 298.15 NIST
Cp,liquid 195.23 J/mol×K 299.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 193.00 J/mol×K 300.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 195.57 J/mol×K 301.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 195.92 J/mol×K 303.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 196.27 J/mol×K 305.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 196.63 J/mol×K 307.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 196.99 J/mol×K 309.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 195.00 J/mol×K 310.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 197.35 J/mol×K 311.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 197.72 J/mol×K 313.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 198.09 J/mol×K 315.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 198.47 J/mol×K 317.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 198.85 J/mol×K 319.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 197.00 J/mol×K 320.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 199.23 J/mol×K 321.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 199.61 J/mol×K 323.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 200.00 J/mol×K 325.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 200.38 J/mol×K 327.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 200.77 J/mol×K 329.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 199.00 J/mol×K 330.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 201.16 J/mol×K 331.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 201.55 J/mol×K 333.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 201.93 J/mol×K 335.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 202.32 J/mol×K 337.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 202.71 J/mol×K 339.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 201.00 J/mol×K 340.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 203.09 J/mol×K 341.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 203.47 J/mol×K 343.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 203.85 J/mol×K 345.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 204.23 J/mol×K 347.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 204.61 J/mol×K 349.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 204.00 J/mol×K 350.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 204.98 J/mol×K 351.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 205.35 J/mol×K 353.15 Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid 206.00 J/mol×K 360.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 208.00 J/mol×K 370.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 210.00 J/mol×K 380.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 212.00 J/mol×K 390.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 214.00 J/mol×K 400.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 216.00 J/mol×K 410.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 219.00 J/mol×K 420.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 221.00 J/mol×K 430.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 223.00 J/mol×K 440.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 225.00 J/mol×K 450.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid 227.00 J/mol×K 460.00 Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔsubH 62.30 kJ/mol 288.50 NIST
ΔvapH [47.00; 55.80] kJ/mol [288.50; 440.50] Show Hide
ΔvapH 47.00 kJ/mol 288.50 NIST
ΔvapH 55.80 kJ/mol 290.00 NIST
ΔvapH 49.30 kJ/mol 398.50 NIST
ΔvapH 49.50 kJ/mol 440.50 NIST
n0 [1.52200; 1.54800]   [298.15; 308.15] Show Hide
n0 1.54800 298.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0 1.52200 298.15 Liquid-Liquid Equilibria for Mixtures of (Furfural + a Chlorinated Aromatic Compound + an Alkane) at T = 298.15 K
n0 1.54600 303.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0 1.54300 308.15 Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
ρl 1442.12 kg/m3 303.15 Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide

Datasets

Viscosity, Pa*s

Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Viscosity, Pa*s - Liquid
101.00 303.15 0.0016
Reference

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [120.82; 229.08] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.08000e+01
Coefficient B3.96300e-01
Coefficient C-2.60920e-04
Coefficient D6.29000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 120.82 J/mol×K 273.00 Calculated Property
Cp,gas 141.13 J/mol×K 353.78 Calculated Property
Cp,gas 158.90 J/mol×K 434.56 Calculated Property
Cp,gas 174.34 J/mol×K 515.33 Calculated Property
Cp,gas 187.65 J/mol×K 596.11 Calculated Property
Cp,gas 199.01 J/mol×K 676.89 Calculated Property
Cp,gas 208.64 J/mol×K 757.67 Calculated Property
Cp,gas 216.73 J/mol×K 838.44 Calculated Property
Cp,gas 223.47 J/mol×K 919.22 Calculated Property
Cp,gas 229.08 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0019929; 0.0002711] Pa×s [287.33; 507.76] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.08130e+01
Coefficient B1.32026e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.287.33
Temperature range, max.507.76
η 0.0019929 Pa×s 287.33 Calculated Property
η 0.0013892 Pa×s 311.83 Calculated Property
η 0.0010206 Pa×s 336.32 Calculated Property
η 0.0007818 Pa×s 360.81 Calculated Property
η 0.0006196 Pa×s 385.30 Calculated Property
η 0.0005048 Pa×s 409.79 Calculated Property
η 0.0004210 Pa×s 434.29 Calculated Property
η 0.0003579 Pa×s 458.78 Calculated Property
η 0.0003093 Pa×s 483.27 Calculated Property
η 0.0002711 Pa×s 507.76 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [353.84; 519.04] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.49608e+01
Coefficient B-4.65563e+03
Coefficient C-3.65540e+01
Temperature range, min.353.84
Temperature range, max.519.04
Pvap 1.33 kPa 353.84 Calculated Property
Pvap 2.97 kPa 372.20 Calculated Property
Pvap 6.11 kPa 390.55 Calculated Property
Pvap 11.68 kPa 408.91 Calculated Property
Pvap 21.01 kPa 427.26 Calculated Property
Pvap 35.86 kPa 445.62 Calculated Property
Pvap 58.46 kPa 463.97 Calculated Property
Pvap 91.55 kPa 482.33 Calculated Property
Pvap 138.37 kPa 500.68 Calculated Property
Pvap 202.67 kPa 519.04 Calculated Property
Pvap [0.03; 3719.15] kPa [290.15; 725.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A3.43692e+01
Coefficient B-6.72270e+03
Coefficient C-2.58415e+00
Coefficient D2.74692e-07
Coefficient E0.00000e+00
Temperature range, min.290.15
Temperature range, max.725.00
Pvap 0.03 kPa 290.15 Calculated Property
Pvap 0.60 kPa 338.47 Calculated Property
Pvap 5.12 kPa 386.78 Calculated Property
Pvap 26.31 kPa 435.10 Calculated Property
Pvap 95.05 kPa 483.42 Calculated Property
Pvap 266.50 kPa 531.73 Calculated Property
Pvap 619.26 kPa 580.05 Calculated Property
Pvap 1247.60 kPa 628.37 Calculated Property
Pvap 2250.21 kPa 676.68 Calculated Property
Pvap 3719.15 kPa 725.00 Calculated Property
Pvap [0.13; 100.77] kPa [311.60; 486.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.52892e+01
Coefficient B-4.86072e+03
Coefficient C-3.07210e+01
ReferenceStull, 1947
Temperature range, min.311.60
Temperature range, max.486.00
Pvap 0.13 kPa 311.60 Calculated Property
Pvap 0.41 kPa 330.98 Calculated Property
Pvap 1.09 kPa 350.36 Calculated Property
Pvap 2.59 kPa 369.73 Calculated Property
Pvap 5.62 kPa 389.11 Calculated Property
Pvap 11.27 kPa 408.49 Calculated Property
Pvap 21.12 kPa 427.87 Calculated Property
Pvap 37.32 kPa 447.24 Calculated Property
Pvap 62.69 kPa 466.62 Calculated Property
Pvap 100.77 kPa 486.00 Calculated Property

Similar Compounds

Benzene, 1,2,3,5-tetrachloro-. Benzene, 1,2-dichloro-. 1,2-Dichlorobenzene-D4. Benzene, 1,3-dichloro-. Benzene, 1,2,3,4-tetrachloro-. Benzene, 1,2,3-trichloro-. Benzene, 1,4-dichloro-. 1,4-Dichlorobenzene-D4. Benzene, 1,2,4,5-tetrachloro-. Benzene, chloro-. Benzene, pentachloro-. Benzene, 1,3,5-trichloro-. 1,3-Cyclohexadien-5-yne,1,4-dichloro-. Naphthalene, 1,2,4,6-tetrachloro. Naphthalene, 1,2,4,7-tetrachloro.

Find more compounds similar to Benzene, 1,2,4-trichloro-.

Mixtures

Sources

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