- InChI
- InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
- InChI Key
- CDZOGLJOFWFVOZ-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CCCNc1ccccc1
- Molecular Weight1
- 135.21
- CAS
- 622-80-0
- Other Names
-
- Aniline, N-n-propyl-
- Aniline, N-propyl-
- N-(n-Propyl)aniline
- N-Propylaniline
- Propylaniline
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 226.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 60.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.34 | kJ/mol | Joback Calculated Property |
| IE | [7.50; 7.54] | eV |
|
| IE | 7.54 | eV | NIST |
| IE | 7.50 | eV | NIST |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 2.508 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 495.20 | K | NIST |
| Tc | 691.55 | K | Joback Calculated Property |
| Tfus | 270.27 | K | Joback Calculated Property |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.33; 334.34] | J/mol×K | [482.17; 691.55] |
|
| Cp,gas | 260.33 | J/mol×K | 482.17 | Joback Calculated Property |
| Cp,gas | 274.63 | J/mol×K | 517.07 | Joback Calculated Property |
| Cp,gas | 288.10 | J/mol×K | 551.96 | Joback Calculated Property |
| Cp,gas | 300.77 | J/mol×K | 586.86 | Joback Calculated Property |
| Cp,gas | 312.68 | J/mol×K | 621.76 | Joback Calculated Property |
| Cp,gas | 323.85 | J/mol×K | 656.66 | Joback Calculated Property |
| Cp,gas | 334.34 | J/mol×K | 691.55 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [371.12; 525.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48211e+01 | |||
| Coefficient B | -4.24839e+03 | |||
| Coefficient C | -7.88020e+01 | |||
| Temperature range, min. | 371.12 | |||
| Temperature range, max. | 525.55 | |||
| Pvap | 1.33 | kPa | 371.12 | Calculated Property |
| Pvap | 2.98 | kPa | 388.28 | Calculated Property |
| Pvap | 6.14 | kPa | 405.44 | Calculated Property |
| Pvap | 11.75 | kPa | 422.60 | Calculated Property |
| Pvap | 21.14 | kPa | 439.76 | Calculated Property |
| Pvap | 36.06 | kPa | 456.91 | Calculated Property |
| Pvap | 58.73 | kPa | 474.07 | Calculated Property |
| Pvap | 91.85 | kPa | 491.23 | Calculated Property |
| Pvap | 138.60 | kPa | 508.39 | Calculated Property |
| Pvap | 202.65 | kPa | 525.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N-propyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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