- InChI
- InChI=1S/C7H7/c1-2-4-6-7-5-3-1/h1-7H
- InChI Key
- WIQYRPSOJMHAHR-UHFFFAOYSA-N
- Formula
- C7H7
- SMILES
- [CH]1C=CC=CC=C1
- Molecular Weight1
- 91.13
- CAS
- 3551-27-7
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| PAff | 832.40 | kJ/mol | NIST |
| BasG | 800.00 | kJ/mol | NIST |
| EA | [0.39; 0.49] | eV |
|
| EA | 0.39 ± 0.04 | eV | NIST |
| EA | 0.49 ± 0.13 | eV | NIST |
| ΔfG° | 162.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.51 | kJ/mol | Joback Calculated Property |
| IE | [6.24; 6.74] | eV |
|
| IE | 6.28 ± 0.02 | eV | NIST |
| IE | 6.74 ± 0.05 | eV | NIST |
| IE | 6.24 ± 0.01 | eV | NIST |
| IE | 6.24 ± 0.01 | eV | NIST |
| IE | 6.60 ± 0.10 | eV | NIST |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 83.580 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 380.16 | K | Joback Calculated Property |
| Tc | 594.48 | K | Joback Calculated Property |
| Tfus | 191.16 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.53; 192.76] | J/mol×K | [380.16; 594.48] |
|
| Cp,gas | 129.53 | J/mol×K | 380.16 | Joback Calculated Property |
| Cp,gas | 142.11 | J/mol×K | 415.88 | Joback Calculated Property |
| Cp,gas | 153.81 | J/mol×K | 451.60 | Joback Calculated Property |
| Cp,gas | 164.68 | J/mol×K | 487.32 | Joback Calculated Property |
| Cp,gas | 174.76 | J/mol×K | 523.04 | Joback Calculated Property |
| Cp,gas | 184.10 | J/mol×K | 558.76 | Joback Calculated Property |
| Cp,gas | 192.76 | J/mol×K | 594.48 | Joback Calculated Property |
| η | [0.0002852; 0.0012422] | Pa×s | [191.16; 380.16] |
|
| η | 0.0012422 | Pa×s | 191.16 | Joback Calculated Property |
| η | 0.0008172 | Pa×s | 222.66 | Joback Calculated Property |
| η | 0.0005964 | Pa×s | 254.16 | Joback Calculated Property |
| η | 0.0004666 | Pa×s | 285.66 | Joback Calculated Property |
| η | 0.0003833 | Pa×s | 317.16 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 348.66 | Joback Calculated Property |
| η | 0.0002852 | Pa×s | 380.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptatrienyl radical.
Sources
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