- InChI
- InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
- InChI Key
- AMKPQMFZCBTTAT-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CCc1cccc(N)c1
- Molecular Weight1
- 121.18
- CAS
- 587-02-0
- Other Names
-
- 3-C2H5C6H4NH2
- 3-Ethylaniline
- Aniline, m-ethyl-
- Benzenamine, 3-ethyl-
- m-Ethylaniline
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4758 | Relay (1.0) Calculated Property | |
| PAff | 897.90 | kJ/mol | NIST |
| BasG | 866.10 | kJ/mol | NIST |
| ΔfG° | 185.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.831 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| Inp | [1141.00; 1141.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Ip | [1924.30; 1924.30] |
|
|
| Ip | 1924.30 | NIST | |
| Ip | 1924.30 | NIST | |
| Tboil | [485.20; 487.00] | K |
|
| Tboil | 485.20 | K | NIST |
| Tboil | 487.00 ± 1.00 | K | NIST |
| Tc | 721.04 | K | Relay (1.0) Calculated Property |
| Tfus | 237.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.20 | K | 0.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.86; 346.46] | 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 | -1.74990e+01 | |||
| Coefficient B | 6.87320e-01 | |||
| Coefficient C | -4.18960e-04 | |||
| Coefficient D | 9.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 263.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 285.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 346.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [364.72; 514.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49758e+01 | |||
| Coefficient B | -4.23229e+03 | |||
| Coefficient C | -7.65780e+01 | |||
| Temperature range, min. | 364.72 | |||
| Temperature range, max. | 514.51 | |||
| Pvap | 1.33 | kPa | 364.72 | Calculated Property |
| Pvap | 2.97 | kPa | 381.36 | Calculated Property |
| Pvap | 6.10 | kPa | 398.01 | Calculated Property |
| Pvap | 11.67 | kPa | 414.65 | Calculated Property |
| Pvap | 20.99 | kPa | 431.29 | Calculated Property |
| Pvap | 35.84 | kPa | 447.94 | Calculated Property |
| Pvap | 58.43 | kPa | 464.58 | Calculated Property |
| Pvap | 91.52 | kPa | 481.22 | Calculated Property |
| Pvap | 138.34 | kPa | 497.87 | Calculated Property |
| Pvap | 202.66 | kPa | 514.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 3-ethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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