- 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
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°gas : Molar entropy at standard conditions (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λ : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3660 | KDB | |
| ΔcH°liquid | -5198.00 ± 1.20 | kJ/mol | NIST |
| ΔfG° | 124.60 | kJ/mol | KDB |
| Δc,grossH | 5198.03 | kJ/mol | KDB |
| Δc,netH | 4933.940 | kJ/mol | KDB |
| ΔfH°gas | [-9.60; -9.59] | kJ/mol |
|
| ΔfH°gas | -9.59 | kJ/mol | KDB |
| ΔfH°gas | -9.60 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -58.60 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 12.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.23 | kJ/mol | Joback Calculated Property |
| IE | [8.42; 8.60] | eV |
|
| 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] |
|
|
| 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 |
|
| 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] |
|
|
| 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] |
|
|
| 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 | |
| S°gas | 384.84 ± 0.63 | J/mol×K | NIST |
| S°liquid | 267.94 | J/mol×K | NIST |
| Tboil | [448.00; 450.00] | K |
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47893e+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...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.06633e+01 | |||
| Coefficient B | -7.50148e+03 | |||
| Coefficient C | -6.53516e+00 | |||
| Coefficient D | 2.76776e-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
Find more compounds similar to Benzene, 1,2,3-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.