- InChI
- InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
- InChI Key
- QROGIFZRVHSFLM-QHHAFSJGSA-N
- Formula
- C9H10
- SMILES
- CC=Cc1ccccc1
- Molecular Weight1
- 118.18
- CAS
- 873-66-5
- Other Names
-
- (E)- «beta»-Methylstyrene
- trans-Propenylbenzene
- Benzene, 1-propenyl-, (E)-
- (E)-1-Propenyl benzene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2911 | Relay (1.0) Calculated Property | |
| PAff | 834.20 | kJ/mol | NIST |
| BasG | 805.30 | kJ/mol | NIST |
| ΔcH°gas | -5087.95 | kJ/mol | NIST |
| ΔcH°liquid | -4985.20 | kJ/mol | NIST |
| ΔfG° | 217.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 156.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.84; 8.34] | eV |
|
| IE | 8.10 | eV | NIST |
| IE | 8.20 ± 0.02 | eV | NIST |
| IE | 7.84 ± 0.04 | eV | NIST |
| IE | 8.34 | eV | NIST |
| IE | 8.32 | eV | NIST |
| log10WS | -3.00 | Relay (1.0) 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 | [1008.00; 1019.00] |
|
|
| Inp | 1019.00 | NIST | |
| Inp | 1009.90 | NIST | |
| Inp | 1008.00 | NIST | |
| I | [1360.00; 1430.10] |
|
|
| I | 1390.30 | NIST | |
| I | 1430.10 | NIST | |
| I | 1423.60 | NIST | |
| I | 1423.60 | NIST | |
| I | 1364.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1364.00 | NIST | |
| Tboil | [447.65; 451.41] | K |
|
| Tboil | 448.20 | K | NIST |
| Tboil | 450.15 ± 1.50 | K | NIST |
| Tboil | 449.95 ± 1.50 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | 451.41 ± 0.30 | K | NIST |
| Tboil | 451.23 ± 0.40 | K | NIST |
| Tboil | 447.65 ± 4.00 | K | NIST |
| Tc | 656.19 | K | Relay (1.0) Calculated Property |
| Tfus | [242.15; 246.65] | K |
|
| Tfus | 246.65 ± 1.00 | K | NIST |
| Tfus | 243.23 ± 0.20 | K | NIST |
| Tfus | 243.82 ± 0.15 | K | NIST |
| Tfus | 243.08 ± 0.50 | K | NIST |
| Tfus | 242.15 ± 4.00 | K | NIST |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.11; 268.67] | J/mol×K | [436.36; 654.40] |
|
| Cp,gas | 199.11 | J/mol×K | 436.36 | Joback Calculated Property |
| Cp,gas | 212.79 | J/mol×K | 472.70 | Joback Calculated Property |
| Cp,gas | 225.58 | J/mol×K | 509.04 | Joback Calculated Property |
| Cp,gas | 237.51 | J/mol×K | 545.38 | Joback Calculated Property |
| Cp,gas | 248.64 | J/mol×K | 581.72 | Joback Calculated Property |
| Cp,gas | 259.01 | J/mol×K | 618.06 | Joback Calculated Property |
| Cp,gas | 268.67 | J/mol×K | 654.40 | Joback Calculated Property |
| η | [0.0001925; 0.0032236] | Pa×s | [212.53; 436.36] |
|
| η | 0.0032236 | Pa×s | 212.53 | Joback Calculated Property |
| η | 0.0014194 | Pa×s | 249.84 | Joback Calculated Property |
| η | 0.0007734 | Pa×s | 287.14 | Joback Calculated Property |
| η | 0.0004846 | Pa×s | 324.44 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 361.75 | Joback Calculated Property |
| η | 0.0002473 | Pa×s | 399.06 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 436.36 | Joback Calculated Property |
| ΔvapH | 46.40 | kJ/mol | 371.50 | NIST |
Similar Compounds
Find more compounds similar to trans-«beta»-Methylstyrene.
Sources
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