- InChI
- InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
- InChI Key
- YNQLUTRBYVCPMQ-CFTAVCBPSA-N
- Formula
- C8D10
- SMILES
- CCc1ccccc1
- Molecular Weight1
- 116.23
- CAS
- 25837-05-2
- Other Names
-
- Benzene-d5-, ethyl-d5-
- (2H10)ethylbenzene
- 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).
- 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.
- I : 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 | 0.2942 | Relay (1.0) Calculated Property | |
| ΔfG° | 128.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.249 | Crippen Calculated Property | |
| McVol | 99.820 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Inp | 852.00 | NIST | |
| I | [1105.00; 1124.00] |
|
|
| I | 1124.00 | NIST | |
| I | 1105.00 | NIST | |
| I | 1105.00 | NIST | |
| Tboil | 408.13 | K | Relay (1.0) Calculated Property |
| Tc | 614.49 | K | Relay (1.0) Calculated Property |
| Tfus | 180.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.94; 313.53] | 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 | -3.82890e+01 | |||
| Coefficient B | 6.84920e-01 | |||
| Coefficient C | -4.42600e-04 | |||
| Coefficient D | 1.09500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 117.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 235.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 289.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 302.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 313.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032282; 0.0001994] | Pa×s | [206.34; 433.20] |
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 | -1.10530e+01 | |||
| Coefficient B | 1.09714e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 206.34 | |||
| Temperature range, max. | 433.20 | |||
| η | 0.0032282 | Pa×s | 206.34 | Calculated Property |
| η | 0.0018096 | Pa×s | 231.55 | Calculated Property |
| η | 0.0011364 | Pa×s | 256.75 | Calculated Property |
| η | 0.0007756 | Pa×s | 281.96 | Calculated Property |
| η | 0.0005636 | Pa×s | 307.17 | Calculated Property |
| η | 0.0004299 | Pa×s | 332.37 | Calculated Property |
| η | 0.0003406 | Pa×s | 357.58 | Calculated Property |
| η | 0.0002783 | Pa×s | 382.79 | Calculated Property |
| η | 0.0002331 | Pa×s | 407.99 | Calculated Property |
| η | 0.0001994 | Pa×s | 433.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethylbenzene-d10.
Sources
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