- 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
- Cc1c(C)c(C)c(C)c(C)c1C
- Molecular Weight1
- 180.38
- CAS
- 4342-40-9
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 114.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.20 | kJ/mol | NIST |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.537 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| S°solid,1 bar | 348.06 | J/mol×K | NIST |
| Tboil | 525.54 | K | Joback Calculated Property |
| Tc | 730.53 | K | Joback Calculated Property |
| Tfus | 314.02 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.90; 429.53] | J/mol×K | [525.54; 730.53] | 
|
| 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,solid | 290.51 | J/mol×K | 300.00 | NIST |
| η | [0.0001772; 0.0008438] | Pa×s | [314.02; 525.54] |
|
| 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 |
| ΔvapH | 68.23 | kJ/mol | 298.00 | Enthalp... |
Similar Compounds
Find more compounds similar to Hexamethylbenzene, deuterated.
Sources
- 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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