- InChI
- InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-8H,1H2
- InChI Key
- WEHMXWJFCCNXHJ-UHFFFAOYSA-N
- Formula
- C9H8
- SMILES
- C=C=Cc1ccccc1
- Molecular Weight1
- 116.16
- CAS
- 2327-99-3
- Other Names
-
- Benzene, propadienyl-
- Phenylallene
- Phenylpropadiene
- 1,2-Propadiene, 1-phenyl-
- 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 | 0.3040 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 309.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | NIST |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.485 | Crippen Calculated Property | |
| McVol | 105.310 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Tboil | 456.54 | K | Relay (1.0) Calculated Property |
| Tc | 666.85 | K | Relay (1.0) Calculated Property |
| Tfus | 211.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.44; 251.00] | J/mol×K | [431.95; 657.97] | 
|
| Cp,gas | 187.44 | J/mol×K | 431.95 | Joback Calculated Property |
| Cp,gas | 199.77 | J/mol×K | 469.62 | Joback Calculated Property |
| Cp,gas | 211.37 | J/mol×K | 507.29 | Joback Calculated Property |
| Cp,gas | 222.27 | J/mol×K | 544.96 | Joback Calculated Property |
| Cp,gas | 232.50 | J/mol×K | 582.63 | Joback Calculated Property |
| Cp,gas | 242.06 | J/mol×K | 620.30 | Joback Calculated Property |
| Cp,gas | 251.00 | J/mol×K | 657.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-propadienyl-.
Sources
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