- InChI
- InChI=1S/C11H14/c1-2-6-10-8-4-5-9-11(10)7-3-1/h4-5,8-9H,1-3,6-7H2
- InChI Key
- HEOQXHNKRXRCTO-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- c1ccc2c(c1)CCCCC2
- Molecular Weight1
- 146.23
- CAS
- 1075-16-7
- Other Names
-
- Benzocycloheptene
- 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° | 188.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.58 | kJ/mol | Joback Calculated Property |
| IE | [8.40; 9.10] | eV |
|
| IE | 9.10 ± 0.05 | eV | NIST |
| IE | 8.40 ± 0.02 | eV | NIST |
| IE | 8.44 | eV | NIST |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 2.956 | Crippen Calculated Property | |
| McVol | 131.230 | ml/mol | McGowan Calculated Property |
| Pc | 3284.05 | kPa | Joback Calculated Property |
| Tboil | 502.69 | K | Joback Calculated Property |
| Tc | 740.24 | K | Joback Calculated Property |
| Tfus | 267.81 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.58; 378.75] | J/mol×K | [502.69; 740.24] |
|
| Cp,gas | 285.58 | J/mol×K | 502.69 | Joback Calculated Property |
| Cp,gas | 304.13 | J/mol×K | 542.28 | Joback Calculated Property |
| Cp,gas | 321.38 | J/mol×K | 581.87 | Joback Calculated Property |
| Cp,gas | 337.40 | J/mol×K | 621.46 | Joback Calculated Property |
| Cp,gas | 352.26 | J/mol×K | 661.06 | Joback Calculated Property |
| Cp,gas | 366.02 | J/mol×K | 700.65 | Joback Calculated Property |
| Cp,gas | 378.75 | J/mol×K | 740.24 | Joback Calculated Property |
| η | [0.0002658; 0.0035581] | Pa×s | [267.81; 502.69] |
|
| η | 0.0035581 | Pa×s | 267.81 | Joback Calculated Property |
| η | 0.0017526 | Pa×s | 306.96 | Joback Calculated Property |
| η | 0.0010133 | Pa×s | 346.10 | Joback Calculated Property |
| η | 0.0006549 | Pa×s | 385.25 | Joback Calculated Property |
| η | 0.0004587 | Pa×s | 424.40 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 463.54 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 502.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5H-Benzocycloheptene,6,7,8,9-tetrahydro-.
Sources
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