- InChI
- InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
- InChI Key
- URLKBWYHVLBVBO-ZGYYUIRESA-N
- Formula
- C8D10
- SMILES
- Cc1ccc(C)cc1
- Molecular Weight1
- 116.23
- CAS
- 41051-88-1
- Other Names
-
- (2H10)-p-xylene
- Benzene-1,2,4,5-d4-, 3,6-di(methyl-d3)-
- [2H10]-1,4-Dimethylbenzene
- benzene-1,2,4,5-d4, 3,6-di(methyl-d3)-
- p-xylene-d10
- perdeuterated p-xylene
- perdeuterio-p-xylene
- perdeutero-p-xylene
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.3334 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.40 | kJ/mol | NIST |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.303 | Crippen Calculated Property | |
| McVol | 99.820 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Inp | [858.00; 880.00] |
|
|
| Inp | 880.00 | NIST | |
| Inp | 858.00 | NIST | |
| Tboil | 415.54 | K | Relay (1.0) Calculated Property |
| Tc | 614.90 | K | Relay (1.0) Calculated Property |
| Tfus | 264.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 42.43 | kJ/mol | 298.00 | Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.49; 310.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.39900e+01 | |||
| Coefficient B | 6.25440e-01 | |||
| Coefficient C | -3.75560e-04 | |||
| Coefficient D | 8.46000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 210.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 233.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 271.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 299.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 310.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020700; 0.0001897] | Pa×s | [218.86; 437.79] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09590e+01 | |||
| Coefficient B | 1.04588e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 218.86 | |||
| Temperature range, max. | 437.79 | |||
| η | 0.0020700 | Pa×s | 218.86 | Calculated Property |
| η | 0.0012834 | Pa×s | 243.19 | Calculated Property |
| η | 0.0008680 | Pa×s | 267.51 | Calculated Property |
| η | 0.0006266 | Pa×s | 291.84 | Calculated Property |
| η | 0.0004756 | Pa×s | 316.16 | Calculated Property |
| η | 0.0003755 | Pa×s | 340.49 | Calculated Property |
| η | 0.0003059 | Pa×s | 364.82 | Calculated Property |
| η | 0.0002557 | Pa×s | 389.14 | Calculated Property |
| η | 0.0002183 | Pa×s | 413.47 | Calculated Property |
| η | 0.0001897 | Pa×s | 437.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Di(methyl-d3)benzene-d4.
Sources
- Cheméo Relay (1.0)
- 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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