- InChI
- InChI=1S/C18H18/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
- InChI Key
- POPQCIZUXRKKGP-UHFFFAOYSA-N
- Formula
- C18H18
- SMILES
- c1ccc(C(=C2CCCC2)c2ccccc2)cc1
- Molecular Weight1
- 234.34
- CAS
- 7714-72-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.4680 | Relay (... Calculated Property | |
| ΔfG° | 406.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 249.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.36 | kJ/mol | Relay (... Calculated Property |
| IE | 7.87 | eV | Relay (... Calculated Property |
| log10WS | -5.18 | Relay (... Calculated Property | |
| logPoct/wat | 5.062 | Crippen Calculated Property | |
| McVol | 201.800 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Tboil | 619.26 | K | Relay (... Calculated Property |
| Tc | 866.91 | K | Relay (... Calculated Property |
| Tfus | [334.20; 335.00] | K |
|
| Tfus | 335.00 ± 4.00 | K | NIST |
| Tfus | 334.20 ± 2.00 | K | NIST |
| Vc | 0.724 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.34; 641.01] | J/mol×K | [691.07; 955.53] |
|
| Cp,gas | 542.34 | J/mol×K | 691.07 | Joback Calculated Property |
| Cp,gas | 562.65 | J/mol×K | 735.15 | Joback Calculated Property |
| Cp,gas | 581.20 | J/mol×K | 779.22 | Joback Calculated Property |
| Cp,gas | 598.14 | J/mol×K | 823.30 | Joback Calculated Property |
| Cp,gas | 613.65 | J/mol×K | 867.38 | Joback Calculated Property |
| Cp,gas | 627.88 | J/mol×K | 911.45 | Joback Calculated Property |
| Cp,gas | 641.01 | J/mol×K | 955.53 | Joback Calculated Property |
Similar Compounds
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Sources
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