Chemical Properties of Benzene, 1,2,3-trimethyl- (CAS 526-73-8)

Benzene, 1,2,3-trimethyl-

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InChI
InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChI Key
FYGHSUNMUKGBRK-UHFFFAOYSA-N
Formula
C9H12
SMILES
Cc1cccc(C)c1C
Molecular Weight1
120.19
CAS
526-73-8
Other Names
  • 1,2,3-TrimethyIbenzene
  • 1,2,3-Trimethylbenzene
  • 1,2,3-trimethylbenzene (hemimellitene)
  • HEMIMELLITENE
  • Hemellitol
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Physical Properties

Property Value Unit Source
ω 0.3660 KDB
Δcliquid -5198.00 ± 1.20 kJ/mol NIST
Δf 124.60 kJ/mol KDB
Δc,grossH 5198.03 kJ/mol KDB
Δc,netH 4933.940 kJ/mol KDB
Δfgas [-9.60; -9.59] kJ/mol Show Hide
Δfgas -9.59 kJ/mol KDB
Δfgas -9.60 ± 1.30 kJ/mol NIST
Δfliquid -58.60 ± 1.30 kJ/mol NIST
Δfus 12.33 kJ/mol Joback Calculated Property
Δvap 39.23 kJ/mol Joback Calculated Property
IE [8.42; 8.60] eV Show Hide
IE 8.42 ± 0.02 eV NIST
IE 8.42 ± 0.02 eV NIST
IE 8.48 ± 0.01 eV NIST
IE 8.42 eV NIST
IE 8.60 ± 0.03 eV NIST
log10WS [-3.20; -3.20]   Show Hide
log10WS -3.20 Aq. Sol...
log10WS -3.20 Estimat...
logPoct/wat 2.612 Crippen Calculated Property
McVol 113.910 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
Pc [3442.60; 3454.00] kPa Show Hide
Pc 3454.00 kPa KDB
Pc 3450.00 ± 40.00 kPa NIST
Pc 3442.60 ± 50.00 kPa NIST
Pc 3454.00 ± 6.00 kPa NIST
Inp [162.60; 1048.00]   Show Hide
Inp 1035.40 NIST
Inp 1043.50 NIST
Inp 1001.05 NIST
Inp 1015.80 NIST
Inp 1022.40 NIST
Inp 1013.00 NIST
Inp 1001.00 NIST
Inp 1002.00 NIST
Inp 1014.00 NIST
Inp 1014.00 NIST
Inp 1014.90 NIST
Inp 1021.90 NIST
Inp 1016.00 NIST
Inp 1016.00 NIST
Inp 1016.00 NIST
Inp 1016.00 NIST
Inp 1012.00 NIST
Inp 1013.00 NIST
Inp 1016.00 NIST
Inp 1013.00 NIST
Inp 1017.00 NIST
Inp 1010.00 NIST
Inp 1012.00 NIST
Inp 1009.00 NIST
Inp 999.90 NIST
Inp 1000.00 NIST
Inp 1006.00 NIST
Inp 1029.00 NIST
Inp 1009.00 NIST
Inp 1016.00 NIST
Inp 1023.00 NIST
Inp 1031.00 NIST
Inp 1007.80 NIST
Inp 1010.50 NIST
Inp 1015.90 NIST
Inp 1022.80 NIST
Inp 1031.20 NIST
Inp 1017.00 NIST
Inp 1007.80 NIST
Inp 1007.90 NIST
Inp 1007.80 NIST
Inp 1010.50 NIST
Inp 1013.00 NIST
Inp 1004.31 NIST
Inp 1033.00 NIST
Inp 1010.00 NIST
Inp 1005.20 NIST
Inp 1011.90 NIST
Inp 1018.00 NIST
Inp 1007.00 NIST
Inp 1007.50 NIST
Inp 1034.00 NIST
Inp 1020.60 NIST
Inp 1012.00 NIST
Inp 1004.00 NIST
Inp 1048.00 NIST
Inp 1006.85 NIST
Inp 1010.00 NIST
Inp 1016.00 NIST
Inp 1005.70 NIST
Inp 1005.70 NIST
Inp 999.00 NIST
Inp 1012.00 NIST
Inp 1012.40 NIST
Inp 1016.00 NIST
Inp 1019.90 NIST
Inp 1022.70 NIST
Inp 1032.80 NIST
Inp 1018.00 NIST
Inp 1008.20 NIST
Inp 1007.00 NIST
Inp 1027.00 NIST
Inp 979.70 NIST
Inp 1016.00 NIST
Inp 1019.90 NIST
Inp 1022.70 NIST
Inp 996.00 NIST
Inp 1004.87 NIST
Inp 1005.04 NIST
Inp 1005.00 NIST
Inp 1017.00 NIST
Inp 1004.77 NIST
Inp 1008.90 NIST
Inp 997.82 NIST
Inp 1002.62 NIST
Inp 1005.67 NIST
Inp 1017.96 NIST
Inp 1023.11 NIST
Inp 1026.55 NIST
Inp 1004.00 NIST
Inp 1027.65 NIST
Inp 1009.00 NIST
Inp 1010.00 NIST
Inp 1011.00 NIST
Inp 1016.00 NIST
Inp 1016.00 NIST
Inp 1023.00 NIST
Inp 1023.00 NIST
Inp 1010.00 NIST
Inp 1020.00 NIST
Inp 1016.00 NIST
Inp 1007.00 NIST
Inp 1016.00 NIST
Inp 1015.00 NIST
Inp 1017.00 NIST
Inp 1009.00 NIST
Inp 1020.00 NIST
Inp 1023.00 NIST
Inp 1014.00 NIST
Inp 993.00 NIST
Inp 976.00 NIST
Inp 997.50 NIST
Inp 1034.00 NIST
Inp 962.00 NIST
Inp 998.00 NIST
Inp 1019.00 NIST
Inp 1005.00 NIST
Inp 1000.00 NIST
Inp 1028.20 NIST
Inp 966.00 NIST
Inp 1016.00 NIST
Inp 1000.00 NIST
Inp 981.00 NIST
Inp 1010.00 NIST
Inp 1007.00 NIST
Inp 976.00 NIST
Inp 1020.00 NIST
Inp 1027.00 NIST
Inp 1033.00 NIST
Inp 981.00 NIST
Inp 1022.00 NIST
Inp 1006.00 NIST
Inp 996.00 NIST
Inp 1019.00 NIST
Inp 1006.00 NIST
Inp 1002.00 NIST
Inp 1016.00 NIST
Inp 1000.00 NIST
Inp 1007.00 NIST
Inp 1006.00 NIST
Inp 1011.00 NIST
Inp 1011.00 NIST
Inp 1003.00 NIST
Inp 1016.00 NIST
Inp 1014.60 NIST
Inp 1022.90 NIST
Inp 1020.50 NIST
Inp 1021.90 NIST
Inp 1012.40 NIST
Inp 1033.00 NIST
Inp 1004.00 NIST
Inp 1006.00 NIST
Inp 1009.00 NIST
Inp 1011.00 NIST
Inp Outlier 162.60 NIST
Inp 1034.00 NIST
Inp 1005.70 NIST
Inp 1016.00 NIST
Inp 1008.20 NIST
Inp 1019.90 NIST
Inp 1005.00 NIST
Inp 1002.62 NIST
Inp 1004.00 NIST
Inp Outlier 162.60 NIST
I [1295.00; 1382.90]   Show Hide
I 1366.30 NIST
I Outlier 1382.90 NIST
I Outlier 1295.00 NIST
I 1325.40 NIST
I 1320.60 NIST
I 1301.80 NIST
I 1348.00 NIST
I 1369.60 NIST
I 1340.00 NIST
I 1340.00 NIST
I 1329.00 NIST
I 1349.00 NIST
I 1324.00 NIST
I 1324.00 NIST
I 1341.00 NIST
I 1331.00 NIST
I 1337.00 NIST
I 1339.00 NIST
I 1343.00 NIST
I 1343.00 NIST
I 1342.00 NIST
I 1342.00 NIST
I 1340.00 NIST
I 1340.00 NIST
I 1302.00 NIST
I 1327.00 NIST
I 1332.00 NIST
I 1355.00 NIST
I 1344.00 NIST
I 1355.00 NIST
I 1322.00 NIST
I 1355.00 NIST
I 1325.00 NIST
I 1355.00 NIST
I 1355.00 NIST
I 1302.00 NIST
I 1325.00 NIST
I 1308.00 NIST
I 1355.00 NIST
I 1325.00 NIST
I 1308.00 NIST
I 1348.00 NIST
I 1349.00 NIST
I 1337.00 NIST
I 1342.00 NIST
I 1302.00 NIST
gas 384.84 ± 0.63 J/mol×K NIST
liquid 267.94 J/mol×K NIST
Tboil [448.00; 450.00] K Show Hide
Tboil 449.27 K KDB
Tboil 449.30 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.23 ± 0.20 K NIST
Tboil 449.00 ± 3.00 K NIST
Tboil Outlier 450.00 ± 2.00 K NIST
Tboil 449.30 ± 0.50 K NIST
Tboil 449.30 ± 0.30 K NIST
Tboil 449.00 ± 6.00 K NIST
Tboil 449.23 ± 0.03 K NIST
Tboil 449.23 ± 0.15 K NIST
Tboil 449.24 ± 0.30 K NIST
Tboil 449.25 ± 0.25 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.22 ± 0.30 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.23 ± 0.15 K NIST
Tboil 449.22 ± 0.30 K NIST
Tboil 449.22 ± 0.20 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.24 ± 0.30 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.55 ± 1.00 K NIST
Tboil Outlier 448.40 ± 0.30 K NIST
Tboil 449.24 ± 0.20 K NIST
Tboil Outlier 448.00 ± 2.00 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil Outlier 448.25 ± 2.00 K NIST
Tboil 449.00 ± 2.00 K NIST
Tc [664.39; 665.50] K Show Hide
Tc 664.50 K KDB
Tc 664.50 ± 0.50 K NIST
Tc 665.50 ± 1.50 K NIST
Tc 664.39 ± 0.10 K NIST
Tc 664.50 ± 0.30 K NIST
Tfus [247.39; 248.05] K Show Hide
Tfus 247.70 K KDB
Tfus Outlier 248.05 K Aq. Sol...
Tfus 247.42 ± 1.00 K NIST
Tfus 247.65 ± 0.30 K NIST
Tfus 247.62 ± 0.30 K NIST
Tfus 247.39 ± 0.50 K NIST
Tfus 247.65 ± 0.20 K NIST
Tfus 247.62 ± 0.20 K NIST
Tfus 247.40 ± 0.40 K NIST
Tfus 247.75 ± 0.20 K NIST
Tfus 247.76 ± 0.03 K NIST
Tfus 247.76 ± 0.02 K NIST
Tfus 247.77 ± 0.01 K NIST
Tfus 247.62 ± 0.20 K NIST
Tfus 247.74 ± 0.20 K NIST
Tfus 247.75 ± 1.50 K NIST
Ttriple [247.80; 247.81] K Show Hide
Ttriple 247.81 ± 0.05 K NIST
Ttriple 247.80 ± 0.05 K NIST
Vc 0.431 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [216.81; 285.90] J/mol×K [441.96; 651.95] Show Hide
Cp,gas 216.81 J/mol×K 441.96 Joback Calculated Property
Cp,gas 229.86 J/mol×K 476.96 Joback Calculated Property
Cp,gas 242.27 J/mol×K 511.96 Joback Calculated Property
Cp,gas 254.06 J/mol×K 546.96 Joback Calculated Property
Cp,gas 265.25 J/mol×K 581.96 Joback Calculated Property
Cp,gas 275.86 J/mol×K 616.95 Joback Calculated Property
Cp,gas 285.90 J/mol×K 651.95 Joback Calculated Property
Cp,liquid 216.44 J/mol×K 298.15 NIST
η [0.0002083; 0.0015760] Pa×s [242.65; 441.96] Show Hide
η 0.0015760 Pa×s 242.65 Joback Calculated Property
η 0.0009182 Pa×s 275.87 Joback Calculated Property
η 0.0006008 Pa×s 309.09 Joback Calculated Property
η 0.0004268 Pa×s 342.31 Joback Calculated Property
η 0.0003221 Pa×s 375.52 Joback Calculated Property
η 0.0002545 Pa×s 408.74 Joback Calculated Property
η 0.0002083 Pa×s 441.96 Joback Calculated Property
ΔfusH [0.66; 8.18] kJ/mol [218.70; 247.80] Show Hide
ΔfusH 0.66 kJ/mol 218.70 NIST
ΔfusH 1.33 kJ/mol 230.30 NIST
ΔfusH 8.18 kJ/mol 247.80 NIST
ΔfusH 8.18 kJ/mol 247.80 NIST
ΔvapH [40.04; 44.80] kJ/mol [264.50; 449.30] Show Hide
ΔvapH 42.50 kJ/mol 264.50 NIST
ΔvapH 44.80 kJ/mol 409.50 NIST
ΔvapH 40.04 kJ/mol 449.30 KDB
n0 1.51150 298.15 KDB
ρl 894.00 kg/m3 293.00 KDB
ΔfusS [3.00; 33.01] J/mol×K [218.70; 247.80] Show Hide
ΔfusS 3.00 J/mol×K 218.70 NIST
ΔfusS 5.80 J/mol×K 230.30 NIST
ΔfusS 33.01 J/mol×K 247.80 NIST
γ 0.03 N/m 293.20 KDB
λ [0.12; 0.13] W/m×K [257.62; 331.17] Show Hide
λ 0.13 W/m×K 257.62 Thermal...
λ 0.13 W/m×K 257.83 Thermal...
λ 0.13 W/m×K 257.99 Thermal...
λ 0.13 W/m×K 276.36 Thermal...
λ 0.13 W/m×K 276.58 Thermal...
λ 0.13 W/m×K 276.73 Thermal...
λ 0.13 W/m×K 283.35 Thermal...
λ 0.13 W/m×K 283.57 Thermal...
λ 0.13 W/m×K 283.74 Thermal...
λ 0.13 W/m×K 295.58 Thermal...
λ 0.13 W/m×K 295.81 Thermal...
λ 0.13 W/m×K 295.99 Thermal...
λ 0.13 W/m×K 312.79 Thermal...
λ 0.13 W/m×K 313.04 Thermal...
λ 0.13 W/m×K 313.21 Thermal...
λ 0.12 W/m×K 330.74 Thermal...
λ 0.12 W/m×K 330.99 Thermal...
λ 0.12 W/m×K 331.17 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [328.28; 478.90] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47893e+01
Coefficient B-4.12083e+03
Coefficient C-4.41160e+01
Temperature range, min.328.28
Temperature range, max.478.90
Pvap 1.33 kPa 328.28 Calculated Property
Pvap 2.99 kPa 345.02 Calculated Property
Pvap 6.15 kPa 361.75 Calculated Property
Pvap 11.77 kPa 378.49 Calculated Property
Pvap 21.17 kPa 395.22 Calculated Property
Pvap 36.11 kPa 411.96 Calculated Property
Pvap 58.80 kPa 428.69 Calculated Property
Pvap 91.93 kPa 445.43 Calculated Property
Pvap 138.66 kPa 462.16 Calculated Property
Pvap 202.65 kPa 478.90 Calculated Property
Pvap [4.23e-03; 3376.53] kPa [247.79; 664.53] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.06633e+01
Coefficient B-7.50148e+03
Coefficient C-6.53516e+00
Coefficient D2.76776e-06
Temperature range, min.247.79
Temperature range, max.664.53
Pvap 4.23e-03 kPa 247.79 Calculated Property
Pvap 0.17 kPa 294.09 Calculated Property
Pvap 2.33 kPa 340.40 Calculated Property
Pvap 15.56 kPa 386.70 Calculated Property
Pvap 65.68 kPa 433.01 Calculated Property
Pvap 202.62 kPa 479.31 Calculated Property
Pvap 500.79 kPa 525.62 Calculated Property
Pvap 1054.25 kPa 571.92 Calculated Property
Pvap 1971.86 kPa 618.23 Calculated Property
Pvap 3376.53 kPa 664.53 Calculated Property

Similar Compounds

Benzene, 1,2,3,4-tetramethyl-. 2-Methylbenzyl radical. o-Xylene. 1,2-Di(methyl-d3)benzene-d4. Benzene, 1,2,3,5-tetramethyl-. Benzene, 1,2,4-trimethyl-. 2,6-Dimethylbenzonitrile. Benzene, pentamethyl-. 2,3-Dimethylbenzonitrile. 2,6-Dimethylbenzaldehyde. Benzene, 1,3-dimethyl-. 3-Methylbenzyl radical. Benzene, 1-(chloromethyl)-2,3-dimethyl. Benzonitrile, 3,4-dimethyl-. Benzene, 5-chloro-1,2,3-trimethyl.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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