- InChI
- InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
- InChI Key
- BEZDDPMMPIDMGJ-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- Cc1cc(C)c(C)c(C)c1C
- Molecular Weight1
- 148.24
- CAS
- 700-12-9
- Other Names
-
- 1,2,3,4,5-PENTAMETHYLBENZENE
- Benzene, 1,2,3,4,5-pentamethyl-
- Pentamethylbenzene
- 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,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°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).
- 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 | 0.4070 | KDB | |
| PAff | 850.70 | kJ/mol | NIST |
| BasG | 823.50 | kJ/mol | NIST |
| ΔcH°liquid | -6475.60 ± 6.30 | kJ/mol | NIST |
| ΔcH°solid | [-6480.10; -6470.60] | kJ/mol |
|
| ΔcH°solid | -6470.60 ± 1.60 | kJ/mol | NIST |
| ΔcH°solid | -6480.10 ± 2.60 | kJ/mol | NIST |
| EA | 0.18 ± 0.01 | eV | NIST |
| ΔfG° | 115.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-67.20; -57.70] | kJ/mol |
|
| ΔfH°gas | -67.20 ± 2.20 | kJ/mol | NIST |
| ΔfH°gas | -57.70 | kJ/mol | NIST |
| ΔfH°solid | [-144.60; -135.10] | kJ/mol |
|
| ΔfH°solid | -144.60 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | -135.10 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 16.73 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [71.60; 77.40] | kJ/mol |
|
| ΔsubH° | 71.60 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 71.60 ± 0.10 | kJ/mol | NIST |
| ΔsubH° | 77.40 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 77.40 | kJ/mol | NIST |
| ΔsubH° | 77.40 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 45.00 | kJ/mol | Joback Calculated Property |
| IE | [7.90; 7.92] | eV |
|
| IE | 7.92 | eV | NIST |
| IE | 7.92 | eV | NIST |
| IE | Outlier 7.90 | eV | NIST |
| IE | 7.92 ± 0.02 | eV | NIST |
| IE | 7.92 | eV | NIST |
| log10WS | [-4.00; -4.00] |
|
|
| log10WS | -4.00 | Aq. Sol... | |
| log10WS | -4.00 | Estimat... | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2490.00 | kPa | KDB |
| Inp | [218.10; 1292.60] |
|
|
| Inp | 1281.80 | NIST | |
| Inp | 1292.60 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1253.90 | NIST | |
| Inp | 1258.60 | NIST | |
| Inp | 1260.30 | NIST | |
| Inp | 1270.40 | NIST | |
| Inp | 1280.50 | NIST | |
| Inp | 1253.90 | NIST | |
| Inp | 1258.60 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1251.20 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1274.15 | NIST | |
| Inp | 1265.42 | NIST | |
| Inp | 1265.49 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1290.40 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | Outlier 218.10 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1281.80 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1270.40 | NIST | |
| Inp | 1251.20 | NIST | |
| Inp | 1265.42 | NIST | |
| I | [1644.50; 1666.70] |
|
|
| I | 1644.50 | NIST | |
| I | 1666.70 | NIST | |
| I | 1644.50 | NIST | |
| S°solid,1 bar | 294.10 | J/mol×K | NIST |
| Tboil | [486.00; 540.00] | K |
|
| Tboil | 505.10 | K | KDB |
| Tboil | 505.20 | K | NIST |
| Tboil | 505.15 ± 0.60 | K | NIST |
| Tboil | 504.00 ± 2.00 | K | NIST |
| Tboil | 503.40 ± 1.50 | K | NIST |
| Tboil | 503.15 ± 2.00 | K | NIST |
| Tboil | 486.00 ± 6.00 | K | NIST |
| Tboil | 503.00 ± 3.00 | K | NIST |
| Tboil | Outlier 540.00 ± 6.00 | K | NIST |
| Tboil | 503.00 ± 3.00 | K | NIST |
| Tboil | 503.00 ± 3.00 | K | NIST |
| Tc | 719.00 | K | KDB |
| Tfus | [327.40; 327.50] | K |
|
| Tfus | 327.50 | K | KDB |
| Tfus | 327.40 | K | Aq. Sol... |
| Vc | 0.543 | m3/kmol | KDB |
| Zc | 0.2263780 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.47; 380.26] | J/mol×K | [497.68; 704.55] |
|
| Cp,gas | 302.47 | J/mol×K | 497.68 | Joback Calculated Property |
| Cp,gas | 316.97 | J/mol×K | 532.16 | Joback Calculated Property |
| Cp,gas | 330.85 | J/mol×K | 566.64 | Joback Calculated Property |
| Cp,gas | 344.10 | J/mol×K | 601.11 | Joback Calculated Property |
| Cp,gas | 356.74 | J/mol×K | 635.59 | Joback Calculated Property |
| Cp,gas | 368.79 | J/mol×K | 670.07 | Joback Calculated Property |
| Cp,gas | 380.26 | J/mol×K | 704.55 | Joback Calculated Property |
| Cp,solid | [210.50; 270.30] | J/mol×K | [283.80; 303.00] |
|
| Cp,solid | 251.00 | J/mol×K | 283.80 | NIST |
| Cp,solid | 270.30 | J/mol×K | 298.10 | NIST |
| Cp,solid | 210.50 | J/mol×K | 298.15 | NIST |
| Cp,solid | 267.30 | J/mol×K | 303.00 | NIST |
| η | [0.0001878; 0.0010148] | Pa×s | [290.23; 497.68] |
|
| η | 0.0010148 | Pa×s | 290.23 | Joback Calculated Property |
| η | 0.0006596 | Pa×s | 324.81 | Joback Calculated Property |
| η | 0.0004658 | Pa×s | 359.38 | Joback Calculated Property |
| η | 0.0003496 | Pa×s | 393.96 | Joback Calculated Property |
| η | 0.0002749 | Pa×s | 428.53 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 463.11 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 497.68 | Joback Calculated Property |
| ΔfusH | [1.98; 10.67] | kJ/mol | [296.80; 328.20] |
|
| ΔfusH | 1.98 | kJ/mol | 296.80 | NIST |
| ΔfusH | 10.67 | kJ/mol | 328.20 | NIST |
| ΔfusH | 10.67 | kJ/mol | 328.20 | NIST |
| ΔfusH | 10.67 | kJ/mol | 328.20 | NIST |
| ΔvapH | 57.80 | kJ/mol | 420.50 | NIST |
| ΔfusS | [6.67; 32.51] | J/mol×K | [296.80; 328.20] |
|
| ΔfusS | 6.67 | J/mol×K | 296.80 | NIST |
| ΔfusS | 32.50 | J/mol×K | 328.20 | NIST |
| ΔfusS | 32.51 | J/mol×K | 328.20 | NIST |
| γ | 0.02 | N/m | 373.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [373.17; 537.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43421e+01 | |||
| Coefficient B | -4.14581e+03 | |||
| Coefficient C | -7.81920e+01 | |||
| Temperature range, min. | 373.17 | |||
| Temperature range, max. | 537.28 | |||
| Pvap | 1.33 | kPa | 373.17 | Calculated Property |
| Pvap | 3.02 | kPa | 391.40 | Calculated Property |
| Pvap | 6.26 | kPa | 409.64 | Calculated Property |
| Pvap | 12.01 | kPa | 427.87 | Calculated Property |
| Pvap | 21.62 | kPa | 446.11 | Calculated Property |
| Pvap | 36.81 | kPa | 464.34 | Calculated Property |
| Pvap | 59.74 | kPa | 482.58 | Calculated Property |
| Pvap | 92.97 | kPa | 500.81 | Calculated Property |
| Pvap | 139.50 | kPa | 519.05 | Calculated Property |
| Pvap | 202.67 | kPa | 537.28 | Calculated Property |
| Pvap | [0.18; 224.43] | kPa | [338.15; 543.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.61243e+02 | |||
| Coefficient B | -1.35972e+04 | |||
| Coefficient C | -2.13080e+01 | |||
| Coefficient D | 1.14973e-05 | |||
| Temperature range, min. | 338.15 | |||
| Temperature range, max. | 543.00 | |||
| Pvap | 0.18 | kPa | 338.15 | Calculated Property |
| Pvap | 0.66 | kPa | 360.91 | Calculated Property |
| Pvap | 2.05 | kPa | 383.67 | Calculated Property |
| Pvap | 5.37 | kPa | 406.43 | Calculated Property |
| Pvap | 12.34 | kPa | 429.19 | Calculated Property |
| Pvap | 25.49 | kPa | 451.96 | Calculated Property |
| Pvap | 48.25 | kPa | 474.72 | Calculated Property |
| Pvap | 85.06 | kPa | 497.48 | Calculated Property |
| Pvap | 141.49 | kPa | 520.24 | Calculated Property |
| Pvap | 224.43 | kPa | 543.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentamethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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