- 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
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 223.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 100.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.12 | kJ/mol | Joback Calculated Property |
| IE | 7.78 ± 0.04 | eV | NIST |
| log10WS | -3.02 | Crippen 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 | 1004.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1041.00 | NIST | |
| I | [1442.00; 1446.00] |
|
|
| I | 1446.00 | NIST | |
| I | 1446.00 | NIST | |
| I | 1446.00 | NIST | |
| I | 1442.00 | NIST | |
| Tboil | 448.00 ± 4.00 | K | NIST |
| Tc | 667.08 | K | Joback Calculated Property |
| Tfus | 239.64 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.59; 313.43] | J/mol×K | [456.54; 667.08] |
|
| Cp,gas | 240.59 | J/mol×K | 456.54 | Joback Calculated Property |
| Cp,gas | 254.60 | J/mol×K | 491.63 | Joback Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 526.72 | Joback Calculated Property |
| Cp,gas | 280.28 | J/mol×K | 561.81 | Joback Calculated Property |
| Cp,gas | 292.01 | J/mol×K | 596.90 | Joback Calculated Property |
| Cp,gas | 303.05 | J/mol×K | 631.99 | Joback Calculated Property |
| Cp,gas | 313.43 | J/mol×K | 667.08 | Joback Calculated Property |
| η | [0.0002161; 0.0021934] | Pa×s | [239.64; 456.54] |
|
| η | 0.0021934 | Pa×s | 239.64 | Joback Calculated Property |
| η | 0.0011572 | Pa×s | 275.79 | Joback Calculated Property |
| η | 0.0007081 | Pa×s | 311.94 | Joback Calculated Property |
| η | 0.0004798 | Pa×s | 348.09 | Joback Calculated Property |
| η | 0.0003498 | Pa×s | 384.24 | Joback Calculated Property |
| η | 0.0002693 | Pa×s | 420.39 | Joback Calculated Property |
| η | 0.0002161 | Pa×s | 456.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-(2-propenyl)-.
Sources
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