- InChI
- InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-13H,2H2,1H3
- InChI Key
- FKDKAGHZAOFATR-UHFFFAOYSA-N
- Formula
- C16H16
- SMILES
- CCC=C(c1ccccc1)c1ccccc1
- Molecular Weight1
- 208.30
- CAS
- 1726-14-3
- 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).
- 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° | 380.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 206.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.528 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2414.74 | kPa | Joback Calculated Property |
| Tboil | 567.90 ± 0.60 | K | NIST |
| Tc | 867.49 | K | Joback Calculated Property |
| Tfus | 271.96 ± 0.20 | K | NIST |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.37; 542.48] | J/mol×K | [622.88; 867.49] | 
|
| Cp,gas | 451.37 | J/mol×K | 622.88 | Joback Calculated Property |
| Cp,gas | 469.82 | J/mol×K | 663.65 | Joback Calculated Property |
| Cp,gas | 486.81 | J/mol×K | 704.42 | Joback Calculated Property |
| Cp,gas | 502.47 | J/mol×K | 745.19 | Joback Calculated Property |
| Cp,gas | 516.88 | J/mol×K | 785.96 | Joback Calculated Property |
| Cp,gas | 530.18 | J/mol×K | 826.73 | Joback Calculated Property |
| Cp,gas | 542.48 | J/mol×K | 867.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1-butenylidene)bis-.
Sources
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