- InChI
- InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
- InChI Key
- HRXZRAXKKNUKRF-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CCc1ccc(N)cc1
- Molecular Weight1
- 121.18
- CAS
- 589-16-2
- Other Names
-
- 1-Amino-4-ethylbenzene
- 4-Aminoethylbenzene
- 4-ETHYLANILINE
- 4-ETHYLBENZENAMIINE
- 4-Ethylphenylamine
- Aniline, 4-ethyl-
- Aniline, p-ethyl-
- NSC 62015
- P-AMINOETHYLBENZENE
- p-Ethylaminobenzene
- p-Ethylaniline
- para-Ethylaniline
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔfG° | 185.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 50.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.98 | kJ/mol | Joback Calculated Property |
| IE | 7.60 ± 0.10 | eV | NIST |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.831 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| I | [1893.70; 1947.00] |
|
|
| I | 1947.00 | NIST | |
| I | 1893.70 | NIST | |
| I | 1919.90 | NIST | |
| I | 1947.00 | NIST | |
| Tboil | [485.00; 490.70] | K |
|
| Tboil | 489.20 | K | NIST |
| Tboil | 490.70 | K | NIST |
| Tboil | 488.00 ± 4.00 | K | NIST |
| Tboil | 490.37 ± 0.07 | K | NIST |
| Tboil | 489.00 ± 3.00 | K | NIST |
| Tboil | 485.00 ± 6.00 | K | NIST |
| Tc | 710.97 | K | Joback Calculated Property |
| Tfus | [264.20; 268.60] | K |
|
| Tfus | 268.60 ± 2.00 | K | NIST |
| Tfus | 268.00 ± 0.02 | K | NIST |
| Tfus | 267.30 ± 2.00 | K | NIST |
| Tfus | 267.72 ± 0.05 | K | NIST |
| Tfus | 268.20 ± 4.00 | K | NIST |
| Tfus | Outlier 264.20 ± 5.00 | K | NIST |
| Vc | 0.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.77; 293.75] | J/mol×K | [486.63; 710.97] |
|
| Cp,gas | 228.77 | J/mol×K | 486.63 | Joback Calculated Property |
| Cp,gas | 241.38 | J/mol×K | 524.02 | Joback Calculated Property |
| Cp,gas | 253.24 | J/mol×K | 561.41 | Joback Calculated Property |
| Cp,gas | 264.37 | J/mol×K | 598.80 | Joback Calculated Property |
| Cp,gas | 274.81 | J/mol×K | 636.19 | Joback Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 673.58 | Joback Calculated Property |
| Cp,gas | 293.75 | J/mol×K | 710.97 | Joback Calculated Property |
| ΔvapH | [53.10; 54.60] | kJ/mol | [407.50; 442.00] |
|
| ΔvapH | 54.60 | kJ/mol | 407.50 | NIST |
| ΔvapH | 53.10 | kJ/mol | 442.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 364.50 ± 0.50 | K | 0.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [367.52; 518.57] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49557e+01 | |||
| Coefficient B | -4.25329e+03 | |||
| Coefficient C | -7.75510e+01 | |||
| Temperature range, min. | 367.52 | |||
| Temperature range, max. | 518.57 | |||
| Pvap | 1.33 | kPa | 367.52 | Calculated Property |
| Pvap | 2.97 | kPa | 384.30 | Calculated Property |
| Pvap | 6.11 | kPa | 401.09 | Calculated Property |
| Pvap | 11.68 | kPa | 417.87 | Calculated Property |
| Pvap | 21.01 | kPa | 434.65 | Calculated Property |
| Pvap | 35.86 | kPa | 451.44 | Calculated Property |
| Pvap | 58.47 | kPa | 468.22 | Calculated Property |
| Pvap | 91.55 | kPa | 485.00 | Calculated Property |
| Pvap | 138.36 | kPa | 501.79 | Calculated Property |
| Pvap | 202.64 | kPa | 518.57 | Calculated Property |
| Pvap | [4.60; 102.87] | kPa | [393.15; 491.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.53556e+02 | |||
| Coefficient B | -1.31932e+04 | |||
| Coefficient C | -2.00942e+01 | |||
| Coefficient D | 1.01886e-05 | |||
| Temperature range, min. | 393.15 | |||
| Temperature range, max. | 491.15 | |||
| Pvap | 4.60 | kPa | 393.15 | Calculated Property |
| Pvap | 7.18 | kPa | 404.04 | Calculated Property |
| Pvap | 10.85 | kPa | 414.93 | Calculated Property |
| Pvap | 15.96 | kPa | 425.82 | Calculated Property |
| Pvap | 22.89 | kPa | 436.71 | Calculated Property |
| Pvap | 32.10 | kPa | 447.59 | Calculated Property |
| Pvap | 44.10 | kPa | 458.48 | Calculated Property |
| Pvap | 59.46 | kPa | 469.37 | Calculated Property |
| Pvap | 78.82 | kPa | 480.26 | Calculated Property |
| Pvap | 102.87 | kPa | 491.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 4-ethyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.