- 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
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| 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 | 124.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Joback 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 | -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 | [1008.00; 1019.00] |
|
|
| Inp | 1019.00 | NIST | |
| Inp | 1009.90 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1019.00 | 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 | 1360.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1390.30 | 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 | 654.10 | K | Joback 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 |
| 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 |
| ΔvapH | 46.40 | kJ/mol | 371.50 | NIST |
Similar Compounds
Find more compounds similar to trans-«beta»-Methylstyrene.
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