- InChI
- InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+
- InChI Key
- KETWBQOXTBGBBN-RMKNXTFCSA-N
- Formula
- C12H16
- SMILES
- CCCCC=Cc1ccccc1
- Molecular Weight1
- 160.26
- CAS
- 6111-82-6
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3898 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.890 | Crippen Calculated Property | |
| McVol | 151.880 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | [1308.00; 1308.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Tboil | 498.96 | K | Relay (1.0) Calculated Property |
| Tc | 693.27 | K | Relay (1.0) Calculated Property |
| Tfus | 229.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.28; 413.50] | J/mol×K | [504.80; 713.49] |
|
| Cp,gas | 328.28 | J/mol×K | 504.80 | Joback Calculated Property |
| Cp,gas | 344.81 | J/mol×K | 539.58 | Joback Calculated Property |
| Cp,gas | 360.34 | J/mol×K | 574.36 | Joback Calculated Property |
| Cp,gas | 374.92 | J/mol×K | 609.14 | Joback Calculated Property |
| Cp,gas | 388.61 | J/mol×K | 643.93 | Joback Calculated Property |
| Cp,gas | 401.45 | J/mol×K | 678.71 | Joback Calculated Property |
| Cp,gas | 413.50 | J/mol×K | 713.49 | Joback Calculated Property |
| η | [0.0001750; 0.0035637] | Pa×s | [246.34; 504.80] |
|
| η | 0.0035637 | Pa×s | 246.34 | Joback Calculated Property |
| η | 0.0014839 | Pa×s | 289.42 | Joback Calculated Property |
| η | 0.0007754 | Pa×s | 332.49 | Joback Calculated Property |
| η | 0.0004702 | Pa×s | 375.57 | Joback Calculated Property |
| η | 0.0003160 | Pa×s | 418.65 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 461.72 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 504.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-hexenyl-, (E).
Sources
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