- InChI
- InChI=1S/C7H7/c1-7-5-3-2-4-6-7/h2-6H,1H2/i1D2,2D,3D,4D,5D,6D
- InChI Key
- SLRMQYXOBQWXCR-QMUWOJKRSA-N
- Formula
- C7D7
- SMILES
- [CH2]c1ccccc1
- Molecular Weight1
- 98.17
- CAS
- 2154-55-4
- 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).
- 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 | 0.3076 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 166.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.24 ± 0.00 | eV | NIST |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.869 | Crippen Calculated Property | |
| McVol | 83.580 | ml/mol | McGowan Calculated Property |
| Pc | 4356.87 | kPa | Joback Calculated Property |
| Tboil | 399.09 | K | Relay (1.0) Calculated Property |
| Tc | 598.97 | K | Relay (1.0) Calculated Property |
| Tfus | 178.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.300 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.74; 186.79] | J/mol×K | [385.74; 593.36] | 
|
| Cp,gas | 132.74 | J/mol×K | 385.74 | Joback Calculated Property |
| Cp,gas | 143.59 | J/mol×K | 420.34 | Joback Calculated Property |
| Cp,gas | 153.63 | J/mol×K | 454.95 | Joback Calculated Property |
| Cp,gas | 162.92 | J/mol×K | 489.55 | Joback Calculated Property |
| Cp,gas | 171.51 | J/mol×K | 524.15 | Joback Calculated Property |
| Cp,gas | 179.45 | J/mol×K | 558.75 | Joback Calculated Property |
| Cp,gas | 186.79 | J/mol×K | 593.36 | Joback Calculated Property |
| η | [0.0003147; 0.0010170] | Pa×s | [211.44; 385.74] |
|
| η | 0.0010170 | Pa×s | 211.44 | Joback Calculated Property |
| η | 0.0007433 | Pa×s | 240.49 | Joback Calculated Property |
| η | 0.0005812 | Pa×s | 269.54 | Joback Calculated Property |
| η | 0.0004767 | Pa×s | 298.59 | Joback Calculated Property |
| η | 0.0004050 | Pa×s | 327.64 | Joback Calculated Property |
| η | 0.0003534 | Pa×s | 356.69 | Joback Calculated Property |
| η | 0.0003147 | Pa×s | 385.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl-d7 radical.
Sources
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