- InChI
- InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+
- InChI Key
- CTYOBVWQEXIGRQ-BQYQJAHWSA-N
- Formula
- C16H16
- SMILES
- C(=CCc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 208.30
- CAS
- 13657-49-3
- 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 | 0.4076 | Relay (1.0) Calculated Property | |
| ΔfG° | 388.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 234.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.028 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1731.60; 1800.00] |
|
|
| Inp | 1731.60 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 580.30 | K | Relay (1.0) Calculated Property |
| Tc | 800.01 | K | Relay (1.0) Calculated Property |
| Tfus | 318.40 ± 2.00 | K | NIST |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.62; 541.54] | J/mol×K | [623.00; 863.17] |
|
| Cp,gas | 451.62 | J/mol×K | 623.00 | Joback Calculated Property |
| Cp,gas | 469.78 | J/mol×K | 663.03 | Joback Calculated Property |
| Cp,gas | 486.53 | J/mol×K | 703.06 | Joback Calculated Property |
| Cp,gas | 501.97 | J/mol×K | 743.09 | Joback Calculated Property |
| Cp,gas | 516.22 | J/mol×K | 783.11 | Joback Calculated Property |
| Cp,gas | 529.37 | J/mol×K | 823.14 | Joback Calculated Property |
| Cp,gas | 541.54 | J/mol×K | 863.17 | Joback Calculated Property |
| η | [0.0001290; 0.0022682] | Pa×s | [317.84; 623.00] |
|
| η | 0.0022682 | Pa×s | 317.84 | Joback Calculated Property |
| η | 0.0010118 | Pa×s | 368.70 | Joback Calculated Property |
| η | 0.0005489 | Pa×s | 419.56 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 470.42 | Joback Calculated Property |
| η | 0.0002311 | Pa×s | 521.28 | Joback Calculated Property |
| η | 0.0001683 | Pa×s | 572.14 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 623.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(2-butene-1,4-diyl)bis-.
Sources
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