- InChI
- InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
- InChI Key
- YUWFEBAXEOLKSG-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- Cc1c(C)c(C)c(C)c(C)c1C
- Molecular Weight1
- 162.27
- CAS
- 87-85-4
- Other Names
-
- 1,2,3,4,5,6-Hexamethylbenzene
- HEXAMETHYLBENZENE
- MELLITENE
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3960 | KDB | |
| PAff | 860.60 | kJ/mol | NIST |
| BasG | 836.00 | kJ/mol | NIST |
| ΔcH°liquid | -7134.60 ± 7.10 | kJ/mol | NIST |
| ΔcH°solid | [-7132.20; -7113.20] | kJ/mol |
|
| ΔcH°solid | -7132.20 ± 1.90 | kJ/mol | NIST |
| ΔcH°solid | -7113.20 ± 5.20 | kJ/mol | NIST |
| ΔcH°solid | -7131.30 ± 3.00 | kJ/mol | NIST |
| EA | 0.12 ± 0.02 | eV | NIST |
| ΔfG° | 114.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-78.30; -77.40] | kJ/mol |
|
| ΔfH°gas | -77.40 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | -78.30 | kJ/mol | NIST |
| ΔfH°liquid | -142.00 | kJ/mol | NIST |
| ΔfH°solid | [-163.30; -162.40] | kJ/mol |
|
| ΔfH°solid | -162.40 ± 2.50 | kJ/mol | NIST |
| ΔfH°solid | -163.30 ± 3.10 | kJ/mol | NIST |
| ΔfusH° | 18.93 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [74.89; 86.10] | kJ/mol |
|
| ΔsubH° | 81.41 ± 0.11 | kJ/mol | NIST |
| ΔsubH° | 81.40 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 85.00 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 85.00 | kJ/mol | NIST |
| ΔsubH° | 85.00 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | Outlier 74.89 ± 0.63 | kJ/mol | NIST |
| ΔsubH° | 86.10 | kJ/mol | NIST |
| ΔvapH° | 68.60 | kJ/mol | NIST |
| IE | [7.80; 7.95] | eV |
|
| IE | 7.85 ± 0.01 | eV | NIST |
| IE | 7.85 | eV | NIST |
| IE | 7.87 | eV | NIST |
| IE | 7.85 ± 0.02 | eV | NIST |
| IE | 7.85 | eV | NIST |
| IE | 7.80 | eV | NIST |
| IE | Outlier 7.95 | eV | NIST |
| IE | 7.85 | eV | NIST |
| IE | 7.90 | eV | NIST |
| log10WS | [-5.23; -5.23] |
|
|
| log10WS | -5.23 | Aq. Sol... | |
| log10WS | -5.23 | Estimat... | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2240.00 | kPa | KDB |
| Inp | [1415.00; 1452.40] |
|
|
| Inp | 1452.40 | NIST | |
| Inp | 1416.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1415.60 | NIST | |
| Inp | 1428.20 | NIST | |
| Inp | 1441.60 | NIST | |
| Inp | 1415.00 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1431.00 | NIST | |
| Inp | 1437.00 | NIST | |
| Inp | 1431.00 | NIST | |
| I | [1778.00; 1778.00] |
|
|
| I | 1778.00 | NIST | |
| I | 1778.00 | NIST | |
| S°solid,1 bar | [302.81; 309.60] | J/mol×K |
|
| S°solid,1 bar | 302.81 | J/mol×K | NIST |
| S°solid,1 bar | 306.31 | J/mol×K | NIST |
| S°solid,1 bar | 309.60 | J/mol×K | NIST |
| Tboil | [536.60; 538.20] | K |
|
| Tboil | 536.60 | K | KDB |
| Tboil | 538.20 | K | NIST |
| Tboil | 536.85 ± 0.60 | K | NIST |
| Tc | [751.15; 758.00] | K |
|
| Tc | 758.00 | K | KDB |
| Tc | 758.00 ± 1.00 | K | NIST |
| Tc | 758.00 ± 2.00 | K | NIST |
| Tc | 751.15 ± 10.00 | K | NIST |
| Tfus | [438.55; 439.60] | K |
|
| Tfus | 439.60 | K | KDB |
| Tfus | 438.55 | K | Aq. Sol... |
| Vc | 0.600 | m3/kmol | KDB |
| Zc | 0.2130740 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.90; 429.53] | J/mol×K | [525.54; 730.53] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 340 360 380 400 420 550 600 650 700 | ||||
| Cp,gas | 347.90 | J/mol×K | 525.54 | Joback Calculated Property |
| Cp,gas | 363.06 | J/mol×K | 559.70 | Joback Calculated Property |
| Cp,gas | 377.58 | J/mol×K | 593.87 | Joback Calculated Property |
| Cp,gas | 391.48 | J/mol×K | 628.03 | Joback Calculated Property |
| Cp,gas | 404.77 | J/mol×K | 662.20 | Joback Calculated Property |
| Cp,gas | 417.45 | J/mol×K | 696.36 | Joback Calculated Property |
| Cp,gas | 429.53 | J/mol×K | 730.53 | Joback Calculated Property |
| Cp,liquid | 370.70 | J/mol×K | 455.00 | NIST |
| Cp,solid | [243.40; 258.50] | J/mol×K | [293.81; 303.00] |
|
|
T(K) Solid phase heat capacity (J/mol×K) 245 250 255 260 295 300 | ||||
| Cp,solid | 256.10 | J/mol×K | 293.81 | NIST |
| Cp,solid | 254.80 | J/mol×K | 294.60 | NIST |
| Cp,solid | 243.40 | J/mol×K | 298.15 | NIST |
| Cp,solid | 245.64 | J/mol×K | 298.15 | NIST |
| Cp,solid | 252.11 | J/mol×K | 300.00 | NIST |
| Cp,solid | 258.50 | J/mol×K | 303.00 | NIST |
| η | [0.0001772; 0.0008438] | Pa×s | [314.02; 525.54] |
|
|
T(K) Dynamic viscosity (Pa×s) 2.00e-4 3.00e-4 4.00e-4 5.00e-4 6.00e-4 7.00e-4 8.00e-4 9.00e-4 350 400 450 500 | ||||
| η | 0.0008438 | Pa×s | 314.02 | Joback Calculated Property |
| η | 0.0005705 | Pa×s | 349.27 | Joback Calculated Property |
| η | 0.0004145 | Pa×s | 384.53 | Joback Calculated Property |
| η | 0.0003177 | Pa×s | 419.78 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 455.03 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 490.29 | Joback Calculated Property |
| η | 0.0001772 | Pa×s | 525.54 | Joback Calculated Property |
| ΔfusH | [1.76; 20.63] | kJ/mol | [383.70; 438.70] |
|
| ΔfusH | 1.76 | kJ/mol | 383.70 | NIST |
| ΔfusH | 20.63 | kJ/mol | 438.70 | NIST |
| ΔfusH | 20.63 | kJ/mol | 438.70 | NIST |
| ΔsubH | [83.20; 85.20] | kJ/mol | [320.50; 339.00] |
|
| ΔsubH | 85.20 | kJ/mol | 320.50 | NIST |
| ΔsubH | 83.20 | kJ/mol | 339.00 | NIST |
| ΔvapH | [56.80; 68.56] | kJ/mol | [298.00; 490.00] |
|
| ΔvapH | 68.56 | kJ/mol | 298.00 | Enthalp... |
| ΔvapH | 56.80 | kJ/mol | 490.00 | NIST |
| ΔfusS | [4.58; 47.02] | J/mol×K | [383.70; 438.70] |
|
| ΔfusS | 4.58 | J/mol×K | 383.70 | NIST |
| ΔfusS | 47.02 | J/mol×K | 438.70 | NIST |
| γ | 0.02 | N/m | 453.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [402.19; 569.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45324e+01 | |||
| Coefficient B | -4.38305e+03 | |||
| Coefficient C | -9.44990e+01 | |||
| Temperature range, min. | 402.19 | |||
| Temperature range, max. | 569.83 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 550 | ||||
| Pvap | 1.33 | kPa | 402.19 | Calculated Property |
| Pvap | 3.01 | kPa | 420.82 | Calculated Property |
| Pvap | 6.21 | kPa | 439.44 | Calculated Property |
| Pvap | 11.90 | kPa | 458.07 | Calculated Property |
| Pvap | 21.42 | kPa | 476.70 | Calculated Property |
| Pvap | 36.50 | kPa | 495.32 | Calculated Property |
| Pvap | 59.32 | kPa | 513.95 | Calculated Property |
| Pvap | 92.51 | kPa | 532.58 | Calculated Property |
| Pvap | 139.12 | kPa | 551.20 | Calculated Property |
| Pvap | 202.64 | kPa | 569.83 | Calculated Property |
| Pvap | [2.04e-04; 2256.68] | kPa | [302.15; 758.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.32512e+02 | |||
| Coefficient B | -2.47005e+04 | |||
| Coefficient C | -4.56974e+01 | |||
| Coefficient D | 1.87990e-05 | |||
| Temperature range, min. | 302.15 | |||
| Temperature range, max. | 758.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 400 600 | ||||
| Pvap | 2.04e-04 | kPa | 302.15 | Calculated Property |
| Pvap | 0.04 | kPa | 352.80 | Calculated Property |
| Pvap | 1.18 | kPa | 403.45 | Calculated Property |
| Pvap | 11.05 | kPa | 454.10 | Calculated Property |
| Pvap | 51.51 | kPa | 504.75 | Calculated Property |
| Pvap | 155.10 | kPa | 555.40 | Calculated Property |
| Pvap | 357.30 | kPa | 606.05 | Calculated Property |
| Pvap | 703.80 | kPa | 656.70 | Calculated Property |
| Pvap | 1278.40 | kPa | 707.35 | Calculated Property |
| Pvap | 2256.68 | kPa | 758.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, hexamethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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