- InChI
- InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
- InChI Key
- HJWLCRVIBGQPNF-UHFFFAOYSA-N
- Formula
- C9H10
- SMILES
- C=CCc1ccccc1
- Molecular Weight1
- 118.18
- CAS
- 300-57-2
- Other Names
-
- 1-Phenyl-2-propene
- 1-Propene, 3-phenyl-
- 2-Propenylbenzene
- 3-Phenyl-1-propene
- 3-Phenylpropene
- Allylbenzene
- Benzene, allyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5169.30 | kJ/mol | NIST |
| ΔfG° | 225.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 132.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.30 ± 0.20 | kJ/mol | NIST |
| IE | [7.80; 9.16] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 7.80 ± 0.10 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.20 ± 0.02 | eV | NIST |
| IE | 9.16 | eV | NIST |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.415 | Crippen Calculated Property | |
| McVol | 109.610 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Inp | [143.10; 953.00] |
|
|
| Inp | 914.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 932.60 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 917.80 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 938.90 | NIST | |
| Inp | 943.60 | NIST | |
| Inp | 950.50 | NIST | |
| Inp | 917.80 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 929.30 | NIST | |
| Inp | 929.30 | NIST | |
| Inp | 929.30 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 951.50 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 934.40 | NIST | |
| Inp | 934.40 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | Outlier 154.50 | NIST | |
| Inp | Outlier 143.10 | NIST | |
| I | [1240.00; 1291.10] |
|
|
| I | 1263.20 | NIST | |
| I | 1291.10 | NIST | |
| I | 1240.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1263.00 | NIST | |
| Tboil | 428.68 | K | Joback Calculated Property |
| Tc | 640.52 | K | Joback Calculated Property |
| Tfus | 233.15 ± 4.00 | K | NIST |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.96; 267.72] | J/mol×K | [428.68; 640.52] |
|
| Cp,gas | 198.96 | J/mol×K | 428.68 | Joback Calculated Property |
| Cp,gas | 212.33 | J/mol×K | 463.99 | Joback Calculated Property |
| Cp,gas | 224.89 | J/mol×K | 499.29 | Joback Calculated Property |
| Cp,gas | 236.67 | J/mol×K | 534.60 | Joback Calculated Property |
| Cp,gas | 247.71 | J/mol×K | 569.90 | Joback Calculated Property |
| Cp,gas | 258.05 | J/mol×K | 605.21 | Joback Calculated Property |
| Cp,gas | 267.72 | J/mol×K | 640.52 | Joback Calculated Property |
| η | [0.0002292; 0.0030563] | Pa×s | [215.85; 428.68] |
|
| η | 0.0030563 | Pa×s | 215.85 | Joback Calculated Property |
| η | 0.0014635 | Pa×s | 251.32 | Joback Calculated Property |
| η | 0.0008408 | Pa×s | 286.79 | Joback Calculated Property |
| η | 0.0005458 | Pa×s | 322.26 | Joback Calculated Property |
| η | 0.0003859 | Pa×s | 357.74 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 393.21 | Joback Calculated Property |
| η | 0.0002292 | Pa×s | 428.68 | Joback Calculated Property |
| ΔvapH | 46.50 ± 0.20 | kJ/mol | 293.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.16; 457.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43101e+01 | |||
| Coefficient B | -3.57239e+03 | |||
| Coefficient C | -6.03980e+01 | |||
| Temperature range, min. | 315.16 | |||
| Temperature range, max. | 457.39 | |||
| Pvap | 1.33 | kPa | 315.16 | Calculated Property |
| Pvap | 3.02 | kPa | 330.96 | Calculated Property |
| Pvap | 6.27 | kPa | 346.77 | Calculated Property |
| Pvap | 12.03 | kPa | 362.57 | Calculated Property |
| Pvap | 21.66 | kPa | 378.37 | Calculated Property |
| Pvap | 36.86 | kPa | 394.18 | Calculated Property |
| Pvap | 59.80 | kPa | 409.98 | Calculated Property |
| Pvap | 93.04 | kPa | 425.78 | Calculated Property |
| Pvap | 139.54 | kPa | 441.59 | Calculated Property |
| Pvap | 202.64 | kPa | 457.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-propenyl-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Diffusion coefficients of 2-fluoroanisole, 2-bromoanisole, allylbenzene and 1,3-divinylbenzene at infinite dilution in supercritical carbon dioxide
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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