- 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-
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2777 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5169.30 | kJ/mol | NIST |
| ΔfG° | 225.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 168.89 | kJ/mol | Relay (1.0) 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 | -2.70 | Relay (1.0) 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 | [428.00; 430.65] | K |
|
| Tboil | 429.20 | K | NIST |
| Tboil | 428.00 | K | NIST |
| Tboil | 430.15 ± 1.50 | K | NIST |
| Tboil | 430.65 ± 1.50 | K | NIST |
| Tboil | 428.15 ± 2.00 | K | NIST |
| Tboil | 429.65 ± 3.00 | K | NIST |
| Tboil | 429.65 ± 2.00 | K | NIST |
| Tboil | 429.15 ± 2.00 | K | NIST |
| Tboil | 430.15 ± 1.50 | K | NIST |
| Tboil | 429.15 ± 2.00 | K | NIST |
| Tboil | 428.65 ± 2.00 | K | NIST |
| Tboil | 429.65 ± 3.00 | K | NIST |
| Tc | 635.18 | K | Relay (1.0) Calculated Property |
| Tfus | 233.15 ± 4.00 | K | NIST |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 46.50 ± 0.20 | kJ/mol | 293.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.34; 336.61] | 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 | -4.21890e+01 | |||
| Coefficient B | 7.59900e-01 | |||
| Coefficient C | -5.19900e-04 | |||
| Coefficient D | 1.38800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 201.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 255.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 311.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020752; 0.0002040] | Pa×s | [233.15; 448.57] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10078e+01 | |||
| Coefficient B | 1.12614e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 233.15 | |||
| Temperature range, max. | 448.57 | |||
| η | 0.0020752 | Pa×s | 233.15 | Calculated Property |
| η | 0.0013236 | Pa×s | 257.09 | Calculated Property |
| η | 0.0009114 | Pa×s | 281.02 | Calculated Property |
| η | 0.0006655 | Pa×s | 304.96 | Calculated Property |
| η | 0.0005086 | Pa×s | 328.89 | Calculated Property |
| η | 0.0004032 | Pa×s | 352.83 | Calculated Property |
| η | 0.0003292 | Pa×s | 376.76 | Calculated Property |
| η | 0.0002754 | Pa×s | 400.70 | Calculated Property |
| η | 0.0002350 | Pa×s | 424.63 | Calculated Property |
| η | 0.0002040 | Pa×s | 448.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.16; 457.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- 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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