- InChI
- InChI=1S/C17H18/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-3,5,7-9,11,13,16H,4,6,10,12H2
- InChI Key
- UYQXAXXXMIEYGP-UHFFFAOYSA-N
- Formula
- C17H18
- SMILES
- c1ccc(C2CCCCc3ccccc32)cc1
- Molecular Weight1
- 222.32
- CAS
- 35068-34-9
- 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 |
|---|---|---|---|
| ΔfG° | 344.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.545 | Crippen Calculated Property | |
| McVol | 192.010 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Tboil | 661.98 | K | Joback Calculated Property |
| Tc | 921.39 | K | Joback Calculated Property |
| Tfus | 357.61 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.22; 617.78] | J/mol×K | [661.98; 921.39] | 
|
| Cp,gas | 514.22 | J/mol×K | 661.98 | Joback Calculated Property |
| Cp,gas | 535.56 | J/mol×K | 705.21 | Joback Calculated Property |
| Cp,gas | 555.10 | J/mol×K | 748.45 | Joback Calculated Property |
| Cp,gas | 572.97 | J/mol×K | 791.68 | Joback Calculated Property |
| Cp,gas | 589.29 | J/mol×K | 834.92 | Joback Calculated Property |
| Cp,gas | 604.18 | J/mol×K | 878.15 | Joback Calculated Property |
| Cp,gas | 617.78 | J/mol×K | 921.39 | Joback Calculated Property |
| η | [0.0001945; 0.0020660] | Pa×s | [357.61; 661.98] |
|
| η | 0.0020660 | Pa×s | 357.61 | Joback Calculated Property |
| η | 0.0010911 | Pa×s | 408.34 | Joback Calculated Property |
| η | 0.0006636 | Pa×s | 459.07 | Joback Calculated Property |
| η | 0.0004456 | Pa×s | 509.80 | Joback Calculated Property |
| η | 0.0003215 | Pa×s | 560.52 | Joback Calculated Property |
| η | 0.0002449 | Pa×s | 611.25 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 661.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5H-Benzocycloheptene, 5-phenyl-6,7,8,9-tetrahydro-.
Sources
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