- InChI
- InChI=1S/C10H10/c1-3-9(2)10-7-5-4-6-8-10/h3-8H,1-2H2
- InChI Key
- IMJGQTCMUZMLRZ-UHFFFAOYSA-N
- Formula
- C10H10
- SMILES
- C=CC(=C)c1ccccc1
- Molecular Weight1
- 130.19
- CAS
- 2288-18-8
- Other Names
-
- 1,3-Butadiene, 2-phenyl-
- Phenoprene
- 2-Phenylbutadiene
- 2-Phenyl-1,3-butadiene
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 312.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 227.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.87 | kJ/mol | Joback Calculated Property |
| IE | [8.10; 8.60] | eV |
|
| IE | 8.19 | eV | NIST |
| IE | 8.10 ± 0.05 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.57 | eV | NIST |
| log10WS | -2.99 | Crippen Calculated Property | |
| logPoct/wat | 2.886 | Crippen Calculated Property | |
| McVol | 119.400 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Inp | 1140.20 | NIST | |
| Tboil | 448.12 | K | Joback Calculated Property |
| Tc | 666.44 | K | Joback Calculated Property |
| Tfus | 211.40 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.21; 294.59] | J/mol×K | [448.12; 666.44] |
|
| Cp,gas | 223.21 | J/mol×K | 448.12 | Joback Calculated Property |
| Cp,gas | 237.28 | J/mol×K | 484.51 | Joback Calculated Property |
| Cp,gas | 250.41 | J/mol×K | 520.89 | Joback Calculated Property |
| Cp,gas | 262.66 | J/mol×K | 557.28 | Joback Calculated Property |
| Cp,gas | 274.07 | J/mol×K | 593.67 | Joback Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 630.06 | Joback Calculated Property |
| Cp,gas | 294.59 | J/mol×K | 666.44 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.70 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (1-methylene-2-propenyl)-.
Sources
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