- InChI
- InChI=1S/C9H13N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7,10H2,1H3
- InChI Key
- OWOUKRYOZIZVFK-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- Cc1ccccc1CCN
- Molecular Weight1
- 135.21
- CAS
- 55755-16-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor 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 | 0.4751 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Tboil | 495.52 | K | Relay (1.0) Calculated Property |
| Tc | 714.10 | K | Relay (1.0) Calculated Property |
| Tfus | 296.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.53; 342.28] | J/mol×K | [509.51; 730.11] | 
|
| Cp,gas | 271.53 | J/mol×K | 509.51 | Joback Calculated Property |
| Cp,gas | 285.22 | J/mol×K | 546.28 | Joback Calculated Property |
| Cp,gas | 298.11 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 310.23 | J/mol×K | 619.81 | Joback Calculated Property |
| Cp,gas | 321.61 | J/mol×K | 656.58 | Joback Calculated Property |
| Cp,gas | 332.28 | J/mol×K | 693.35 | Joback Calculated Property |
| Cp,gas | 342.28 | J/mol×K | 730.11 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [356.93; 513.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43892e+01 | |||
| Coefficient B | -3.98170e+03 | |||
| Coefficient C | -7.45730e+01 | |||
| Temperature range, min. | 356.93 | |||
| Temperature range, max. | 513.20 | |||
| Pvap | 1.33 | kPa | 356.93 | Calculated Property |
| Pvap | 3.02 | kPa | 374.29 | Calculated Property |
| Pvap | 6.25 | kPa | 391.66 | Calculated Property |
| Pvap | 11.99 | kPa | 409.02 | Calculated Property |
| Pvap | 21.57 | kPa | 426.38 | Calculated Property |
| Pvap | 36.73 | kPa | 443.75 | Calculated Property |
| Pvap | 59.63 | kPa | 461.11 | Calculated Property |
| Pvap | 92.85 | kPa | 478.47 | Calculated Property |
| Pvap | 139.40 | kPa | 495.84 | Calculated Property |
| Pvap | 202.66 | kPa | 513.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylphenethylamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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