- InChI
- InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3
- InChI Key
- QROGIFZRVHSFLM-UHFFFAOYSA-N
- Formula
- C9H10
- SMILES
- CC=Cc1ccccc1
- Molecular Weight1
- 118.18
- CAS
- 637-50-3
- Other Names
-
- 1-Phenyl-1-propene
- 1-Phenylpropene
- 1-Propene, 1-phenyl-
- 1-Propenylbenzene
- Benzene, propenyl-
- Isoallylbenzene
- NSC 65591
- Propenylbenzene
- «beta»-Methylstyrene
- «beta»-Methylstyrol
- «omega»-Methylstyrene
- «beta»-Methylstyrene
- «beta»-Methylstyrol
- «omega»-Methylstyrene
- 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).
- 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.
- 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 | -4797.00 | kJ/mol | NIST |
| ΔfG° | 217.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 124.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Joback Calculated Property |
| IE | 8.50 ± 0.10 | eV | NIST |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 109.610 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [165.63; 1026.00] |
|
|
| Inp | 1026.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1004.20 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1011.20 | NIST | |
| Inp | 1015.90 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | Outlier 166.50 | NIST | |
| Inp | Outlier 165.63 | NIST | |
| Inp | 1011.20 | NIST | |
| Tboil | [445.15; 450.00] | K |
|
| Tboil | 447.15 ± 2.00 | K | NIST |
| Tboil | 448.65 ± 1.50 | K | NIST |
| Tboil | 446.15 ± 2.00 | K | NIST |
| Tboil | 445.15 ± 5.00 | K | NIST |
| Tboil | 450.00 ± 3.00 | K | NIST |
| Tboil | 446.15 ± 3.00 | K | NIST |
| Tboil | 448.15 ± 2.00 | K | NIST |
| Tboil | 447.65 ± 3.00 | K | NIST |
| Tboil | 447.65 ± 1.50 | K | NIST |
| Tc | 654.10 | K | Joback Calculated Property |
| Tfus | 212.53 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.03; 268.59] | J/mol×K | [436.16; 654.10] |
|
| Cp,gas | 199.03 | J/mol×K | 436.16 | Joback Calculated Property |
| Cp,gas | 212.72 | J/mol×K | 472.48 | Joback Calculated Property |
| Cp,gas | 225.50 | J/mol×K | 508.81 | Joback Calculated Property |
| Cp,gas | 237.43 | J/mol×K | 545.13 | Joback Calculated Property |
| Cp,gas | 248.56 | J/mol×K | 581.46 | Joback Calculated Property |
| Cp,gas | 258.93 | J/mol×K | 617.78 | Joback Calculated Property |
| Cp,gas | 268.59 | J/mol×K | 654.10 | Joback Calculated Property |
| η | [0.0001928; 0.0032236] | Pa×s | [212.53; 436.16] |
|
| η | 0.0032236 | Pa×s | 212.53 | Joback Calculated Property |
| η | 0.0014202 | Pa×s | 249.80 | Joback Calculated Property |
| η | 0.0007741 | Pa×s | 287.07 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 324.34 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 361.62 | Joback Calculated Property |
| η | 0.0002476 | Pa×s | 398.89 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 436.16 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [330.92; 475.73] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45067e+01 | |||
| Coefficient B | -3.76870e+03 | |||
| Coefficient C | -6.58750e+01 | |||
| Temperature range, min. | 330.92 | |||
| Temperature range, max. | 475.73 | |||
| Pvap | 1.33 | kPa | 330.92 | Calculated Property |
| Pvap | 3.01 | kPa | 347.01 | Calculated Property |
| Pvap | 6.22 | kPa | 363.10 | Calculated Property |
| Pvap | 11.92 | kPa | 379.19 | Calculated Property |
| Pvap | 21.45 | kPa | 395.28 | Calculated Property |
| Pvap | 36.55 | kPa | 411.37 | Calculated Property |
| Pvap | 59.38 | kPa | 427.46 | Calculated Property |
| Pvap | 92.57 | kPa | 443.55 | Calculated Property |
| Pvap | 139.18 | kPa | 459.64 | Calculated Property |
| Pvap | 202.65 | kPa | 475.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-propenyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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