- InChI
- InChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3
- InChI Key
- SVIHJJUMPAUQNO-UHFFFAOYSA-N
- Formula
- C10H12
- SMILES
- C=CCc1ccccc1C
- Molecular Weight1
- 132.20
- CAS
- 1587-04-8
- Other Names
-
- Toluene, o-allyl-
- o-Allyltoluene
- 1-Allyl-2-methylbenzene
- 2-Allyl-1-methylbenzene
- 2-Allyltoluene
- 1-Methyl-2-(2-propenyl)benzene
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.3155 | Relay (1.0) Calculated Property | |
| ΔfG° | 223.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 ± 0.04 | eV | NIST |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.724 | Crippen Calculated Property | |
| McVol | 123.700 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | [1004.00; 1055.00] |
|
|
| Inp | 1055.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Ip | [1442.00; 1446.00] |
|
|
| Ip | 1446.00 | NIST | |
| Ip | 1446.00 | NIST | |
| Ip | 1442.00 | NIST | |
| Ip | 1446.00 | NIST | |
| Tboil | 448.00 ± 4.00 | K | NIST |
| Tc | 662.70 | K | Relay (1.0) Calculated Property |
| Tfus | 209.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.10; 385.16] | 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 | -2.87990e+01 | |||
| Coefficient B | 7.95420e-01 | |||
| Coefficient C | -5.07260e-04 | |||
| Coefficient D | 1.25800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 231.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 263.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 291.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 385.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021934; 0.0002038] | Pa×s | [239.64; 467.16] |
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 | -1.10006e+01 | |||
| Coefficient B | 1.16904e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 239.64 | |||
| Temperature range, max. | 467.16 | |||
| η | 0.0021934 | Pa×s | 239.64 | Calculated Property |
| η | 0.0013770 | Pa×s | 264.92 | Calculated Property |
| η | 0.0009375 | Pa×s | 290.20 | Calculated Property |
| η | 0.0006789 | Pa×s | 315.48 | Calculated Property |
| η | 0.0005157 | Pa×s | 340.76 | Calculated Property |
| η | 0.0004069 | Pa×s | 366.04 | Calculated Property |
| η | 0.0003311 | Pa×s | 391.32 | Calculated Property |
| η | 0.0002762 | Pa×s | 416.60 | Calculated Property |
| η | 0.0002352 | Pa×s | 441.88 | Calculated Property |
| η | 0.0002038 | Pa×s | 467.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-(2-propenyl)-.
Sources
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