- InChI
- InChI=1S/C10H10/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,1H2,2H3
- InChI Key
- IHOYDALOVDQINJ-UHFFFAOYSA-N
- Formula
- C10H10
- SMILES
- C=C=C(C)c1ccccc1
- Molecular Weight1
- 130.19
- CAS
- 22433-39-2
- Other Names
-
- 1,2-Butadiene, 3-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 | 0.2976 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 280.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | NIST |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.875 | Crippen Calculated Property | |
| McVol | 119.400 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Tboil | 462.18 | K | Relay (1.0) Calculated Property |
| Tc | 673.85 | K | Relay (1.0) Calculated Property |
| Tfus | 229.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.19; 358.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.44800e+01 | |||
| Coefficient B | 7.04120e-01 | |||
| Coefficient C | -4.21200e-04 | |||
| Coefficient D | 9.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 185.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 274.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 297.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 316.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 333.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 347.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 358.84 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene,1-methyl-1,2-propadienyl-.
Sources
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