- InChI
- InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
- InChI Key
- WKURVXXDGMYSDP-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CCCc1ccccc1N
- Molecular Weight1
- 135.21
- CAS
- 1821-39-2
- Other Names
-
- 1-Amino-2-propylbenzene
- 2-Propylaniline
- Aniline, 2-propyl-
- Aniline, o-propyl-
- o-Aminopropylbenzene
- o-Propylaniline
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5055 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.221 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| I | 1975.00 | NIST | |
| Tboil | 496.20 | K | NIST |
| Tc | 719.76 | K | Relay (1.0) Calculated Property |
| Tfus | 249.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.444 | 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 389.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [374.32; 525.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50794e+01 | |||
| Coefficient B | -4.35480e+03 | |||
| Coefficient C | -7.99140e+01 | |||
| Temperature range, min. | 374.32 | |||
| Temperature range, max. | 525.74 | |||
| Pvap | 1.33 | kPa | 374.32 | Calculated Property |
| Pvap | 2.97 | kPa | 391.14 | Calculated Property |
| Pvap | 6.08 | kPa | 407.97 | Calculated Property |
| Pvap | 11.62 | kPa | 424.79 | Calculated Property |
| Pvap | 20.90 | kPa | 441.62 | Calculated Property |
| Pvap | 35.69 | kPa | 458.44 | Calculated Property |
| Pvap | 58.23 | kPa | 475.27 | Calculated Property |
| Pvap | 91.29 | kPa | 492.09 | Calculated Property |
| Pvap | 138.16 | kPa | 508.92 | Calculated Property |
| Pvap | 202.65 | kPa | 525.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2-propyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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