![Bicyclo[4.1.0]hepta-1,3,5-triene](/cid/37-151-3/Bicyclo-4-1-0-hepta-1-3-5-triene.png "Bicyclo[4.1.0]hepta-1,3,5-triene")
- InChI
- InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2
- InChI Key
- AMSMVCOBCOZLEE-UHFFFAOYSA-N
- Formula
- C7H6
- SMILES
- c1ccc2c(c1)C2
- Molecular Weight1
- 90.12
- CAS
- 4646-69-9
- Other Names
-
- 1,3,5-Norcaratriene
- Benzocyclopropene
- Cyclopropabenzene
- 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 |
|---|---|---|---|
| ΔfG° | 203.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 142.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.99 | kJ/mol | Joback Calculated Property |
| IE | [8.82; 8.82] | eV |
|
| IE | 8.82 | eV | NIST |
| IE | 8.82 | eV | NIST |
| log10WS | -1.82 | Crippen Calculated Property | |
| logPoct/wat | 1.591 | Crippen Calculated Property | |
| McVol | 74.870 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 394.09 | K | Joback Calculated Property |
| Tc | 608.35 | K | Joback Calculated Property |
| Tfus | 236.81 | K | Joback Calculated Property |
| Vc | 0.293 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.30; 176.59] | J/mol×K | [394.09; 608.35] |
|
| Cp,gas | 126.30 | J/mol×K | 394.09 | Joback Calculated Property |
| Cp,gas | 136.71 | J/mol×K | 429.80 | Joback Calculated Property |
| Cp,gas | 146.21 | J/mol×K | 465.51 | Joback Calculated Property |
| Cp,gas | 154.87 | J/mol×K | 501.22 | Joback Calculated Property |
| Cp,gas | 162.78 | J/mol×K | 536.93 | Joback Calculated Property |
| Cp,gas | 169.99 | J/mol×K | 572.64 | Joback Calculated Property |
| Cp,gas | 176.59 | J/mol×K | 608.35 | Joback Calculated Property |
| η | [0.0003972; 0.0006123] | Pa×s | [236.81; 394.09] |
|
| η | 0.0006123 | Pa×s | 236.81 | Joback Calculated Property |
| η | 0.0005496 | Pa×s | 263.02 | Joback Calculated Property |
| η | 0.0005030 | Pa×s | 289.24 | Joback Calculated Property |
| η | 0.0004673 | Pa×s | 315.45 | Joback Calculated Property |
| η | 0.0004390 | Pa×s | 341.66 | Joback Calculated Property |
| η | 0.0004161 | Pa×s | 367.88 | Joback Calculated Property |
| η | 0.0003972 | Pa×s | 394.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo[4.1.0]hepta-1,3,5-triene.
Sources
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