- InChI
- InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3
- InChI Key
- YXFVVABEGXRONW-FIBGUPNXSA-N
- Formula
- C7H5D3
- SMILES
- Cc1ccccc1
- Molecular Weight1
- 95.16
- CAS
- 1124-18-1
- Other Names
-
- Benzene, trideureromethyl-
- C6H5CD3
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 789.70 | kJ/mol | NIST |
| BasG | 762.00 | kJ/mol | NIST |
| ΔfG° | 120.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 48.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.45 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.995 | Crippen Calculated Property | |
| McVol | 85.730 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 386.24 | K | Joback Calculated Property |
| Tc | 597.75 | K | Joback Calculated Property |
| Tfus | 195.07 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.18; 197.38] | J/mol×K | [386.24; 597.75] | 
|
| Cp,gas | 138.18 | J/mol×K | 386.24 | Joback Calculated Property |
| Cp,gas | 149.61 | J/mol×K | 421.49 | Joback Calculated Property |
| Cp,gas | 160.38 | J/mol×K | 456.74 | Joback Calculated Property |
| Cp,gas | 170.51 | J/mol×K | 492.00 | Joback Calculated Property |
| Cp,gas | 180.04 | J/mol×K | 527.25 | Joback Calculated Property |
| Cp,gas | 188.99 | J/mol×K | 562.50 | Joback Calculated Property |
| Cp,gas | 197.38 | J/mol×K | 597.75 | Joback Calculated Property |
| η | [0.0002251; 0.0028683] | Pa×s | [195.07; 386.24] |
|
| η | 0.0028683 | Pa×s | 195.07 | Joback Calculated Property |
| η | 0.0013935 | Pa×s | 226.93 | Joback Calculated Property |
| η | 0.0008087 | Pa×s | 258.79 | Joback Calculated Property |
| η | 0.0005288 | Pa×s | 290.65 | Joback Calculated Property |
| η | 0.0003760 | Pa×s | 322.52 | Joback Calculated Property |
| η | 0.0002843 | Pa×s | 354.38 | Joback Calculated Property |
| η | 0.0002251 | Pa×s | 386.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toluene-D3.
Sources
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