- InChI
- InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3
- InChI Key
- YUWFEBAXEOLKSG-NBDUPMGQSA-N
- Formula
- C12D18
- SMILES
-
[2H]C([2H])([2H])c1c(C([2H])([
2H])[2H])c(C([2H])([2H])[2H])c (C([2H])([2H])[2H])c(C([2H])([ 2H])[2H])c1C([2H])([2H])[2H] - Molecular Weight1
- 180.39
- Other Names
-
- hexamethylbenzene-d18
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 18.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.20 | kJ/mol | NIST |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 348.06 | J/mol×K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.99; 429.63] | J/mol×K | [525.74; 730.80] | 
|
| Cp,gas | 347.99 | J/mol×K | 525.74 | Joback Calculated Property |
| Cp,gas | 363.15 | J/mol×K | 559.92 | Joback Calculated Property |
| Cp,gas | 377.68 | J/mol×K | 594.09 | Joback Calculated Property |
| Cp,gas | 391.58 | J/mol×K | 628.27 | Joback Calculated Property |
| Cp,gas | 404.87 | J/mol×K | 662.45 | Joback Calculated Property |
| Cp,gas | 417.55 | J/mol×K | 696.63 | Joback Calculated Property |
| Cp,gas | 429.63 | J/mol×K | 730.80 | Joback Calculated Property |
| Cp,solid | 290.51 | J/mol×K | 300.00 | NIST |
| η | [0.0001968; 0.0009379] | Pa×s | [314.02; 525.74] |
|
| η | 0.0009379 | Pa×s | 314.02 | Joback Calculated Property |
| η | 0.0006340 | Pa×s | 349.31 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 384.59 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 419.88 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 455.17 | Joback Calculated Property |
| η | 0.0002325 | Pa×s | 490.45 | Joback Calculated Property |
| η | 0.0001968 | Pa×s | 525.74 | Joback Calculated Property |
| ΔvapH | 68.23 | kJ/mol | 298.00 | Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects |
Similar Compounds
Find more compounds similar to Hexamethylbenzene, deuterated.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
- Joback Method
- McGowan Method
- NIST Webbook
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