- InChI
- InChI=1S/C18H18/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-12,14H,1,13H2,2H3/b16-14-
- InChI Key
- GASNOTNZDSKOAZ-PEZBUJJGSA-N
- Formula
- C18H18
- SMILES
- C=C(CC=C(C)c1ccccc1)c1ccccc1
- Molecular Weight1
- 234.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 476.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 281.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 208.360 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1822.00; 1822.00] |
|
|
| Inp | 1822.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Tboil | 665.20 | K | Joback Calculated Property |
| Tc | 908.80 | K | Joback Calculated Property |
| Tfus | 310.70 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.37; 625.54] | J/mol×K | [665.20; 908.80] |
|
| Cp,gas | 532.37 | J/mol×K | 665.20 | Joback Calculated Property |
| Cp,gas | 551.15 | J/mol×K | 705.80 | Joback Calculated Property |
| Cp,gas | 568.45 | J/mol×K | 746.40 | Joback Calculated Property |
| Cp,gas | 584.41 | J/mol×K | 787.00 | Joback Calculated Property |
| Cp,gas | 599.16 | J/mol×K | 827.60 | Joback Calculated Property |
| Cp,gas | 612.83 | J/mol×K | 868.20 | Joback Calculated Property |
| Cp,gas | 625.54 | J/mol×K | 908.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Hexadiene, 2,5-diphenyl.
Sources
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