- InChI
- InChI=1S/C9H11/c1-2-6-9-7-4-3-5-8-9/h3-8H,2H2,1H3
- InChI Key
- AKVBZJSJOOBLEB-UHFFFAOYSA-N
- Formula
- C9H11
- SMILES
- CC[CH]c1ccccc1
- Molecular Weight1
- 119.19
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| ω | 0.3319 | Relay (1.0) Calculated Property | |
| PAff | 842.20 | kJ/mol | NIST |
| BasG | 809.70 | kJ/mol | NIST |
| ΔfG° | 187.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.649 | Crippen Calculated Property | |
| McVol | 111.760 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 434.37 | K | Relay (1.0) Calculated Property |
| Tc | 634.03 | K | Relay (1.0) Calculated Property |
| Tfus | 199.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.32; 349.53] | 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 | -6.12890e+01 | |||
| Coefficient B | 8.88920e-01 | |||
| Coefficient C | -7.07600e-04 | |||
| Coefficient D | 2.29500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 174.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 265.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 287.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 305.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 321.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 336.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 349.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020068; 0.0003291] | Pa×s | [218.98; 447.64] |
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 | -9.75031e+00 | |||
| Coefficient B | 7.74990e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 218.98 | |||
| Temperature range, max. | 447.64 | |||
| η | 0.0020068 | Pa×s | 218.98 | Calculated Property |
| η | 0.0013890 | Pa×s | 244.39 | Calculated Property |
| η | 0.0010304 | Pa×s | 269.79 | Calculated Property |
| η | 0.0008047 | Pa×s | 295.20 | Calculated Property |
| η | 0.0006536 | Pa×s | 320.61 | Calculated Property |
| η | 0.0005473 | Pa×s | 346.01 | Calculated Property |
| η | 0.0004695 | Pa×s | 371.42 | Calculated Property |
| η | 0.0004108 | Pa×s | 396.83 | Calculated Property |
| η | 0.0003653 | Pa×s | 422.23 | Calculated Property |
| η | 0.0003291 | Pa×s | 447.64 | Calculated Property |
Similar Compounds
Find more compounds similar to C6H5(CHC2H5) radical.
Sources
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