- InChI
- InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H
- InChI Key
- HMQFJYLWNWIYKQ-UHFFFAOYSA-N
- Formula
- C16H10
- SMILES
- C(C#Cc1ccccc1)#Cc1ccccc1
- Molecular Weight1
- 202.25
- CAS
- 886-66-8
- Other Names
-
- Butadiyne, diphenyl-
- Diphenyl-1,3-butadiyne
- Diphenylbutadiyne
- Diphenyldiacetylene
- 1,4-Diphenyl-1,3-butadiyne
- 1,4-Diphenylbutadiyne
- 1,4-Diphenylbut-1,3-diyne
- Diphenylbiacetylene
- NSC 529170
- 1,1'-(1,3-butadiyne-1,4-diyl)bisbenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.2780 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-8266.20; -8243.00] | kJ/mol |
|
| ΔcH°solid | -8243.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°solid | -8266.20 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 714.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 671.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.80; 8.23] | eV |
|
| IE | 7.90 ± 0.08 | eV | NIST |
| IE | 7.80 | eV | NIST |
| IE | 8.23 | eV | NIST |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 171.580 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 564.32 | K | Relay (1.0) Calculated Property |
| Tc | 815.21 | K | Relay (1.0) Calculated Property |
| Tfus | 359.90 ± 2.00 | K | NIST |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.45; 472.05] | J/mol×K | [636.84; 930.53] |
|
| Cp,gas | 389.45 | J/mol×K | 636.84 | Joback Calculated Property |
| Cp,gas | 406.82 | J/mol×K | 685.79 | Joback Calculated Property |
| Cp,gas | 422.57 | J/mol×K | 734.74 | Joback Calculated Property |
| Cp,gas | 436.84 | J/mol×K | 783.69 | Joback Calculated Property |
| Cp,gas | 449.75 | J/mol×K | 832.63 | Joback Calculated Property |
| Cp,gas | 461.44 | J/mol×K | 881.58 | Joback Calculated Property |
| Cp,gas | 472.05 | J/mol×K | 930.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-.
Sources
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