- InChI
- InChI=1S/C8H9/c1-7-4-3-5-8(2)6-7/h3-6H,1H2,2H3
- InChI Key
- GMRODCVDNXSFAA-UHFFFAOYSA-N
- Formula
- C8H9
- SMILES
- [CH2]c1cccc(C)c1
- Molecular Weight1
- 105.16
- CAS
- 2348-47-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| EA | 0.89 ± 0.15 | eV | NIST |
| ΔfG° | 171.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.19 | kJ/mol | Joback Calculated Property |
| IE | [7.12; 7.65] | eV |
|
| IE | 7.12 ± 0.02 | eV | NIST |
| IE | 7.65 ± 0.03 | eV | NIST |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.177 | Crippen Calculated Property | |
| McVol | 97.670 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 413.40 | K | Joback Calculated Property |
| Tc | 620.55 | K | Joback Calculated Property |
| Tfus | 235.23 | K | Joback Calculated Property |
| Vc | 0.366 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.79; 229.36] | J/mol×K | [413.40; 620.55] |
|
| Cp,gas | 170.79 | J/mol×K | 413.40 | Joback Calculated Property |
| Cp,gas | 182.32 | J/mol×K | 447.92 | Joback Calculated Property |
| Cp,gas | 193.08 | J/mol×K | 482.45 | Joback Calculated Property |
| Cp,gas | 203.12 | J/mol×K | 516.97 | Joback Calculated Property |
| Cp,gas | 212.48 | J/mol×K | 551.50 | Joback Calculated Property |
| Cp,gas | 221.21 | J/mol×K | 586.02 | Joback Calculated Property |
| Cp,gas | 229.36 | J/mol×K | 620.55 | Joback Calculated Property |
| η | [0.0003298; 0.0009752] | Pa×s | [235.23; 413.40] |
|
| η | 0.0009752 | Pa×s | 235.23 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 264.93 | Joback Calculated Property |
| η | 0.0005873 | Pa×s | 294.62 | Joback Calculated Property |
| η | 0.0004886 | Pa×s | 324.31 | Joback Calculated Property |
| η | 0.0004193 | Pa×s | 354.01 | Joback Calculated Property |
| η | 0.0003684 | Pa×s | 383.70 | Joback Calculated Property |
| η | 0.0003298 | Pa×s | 413.40 | Joback Calculated Property |
Similar Compounds
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Sources
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