- InChI
- InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
- InChI Key
- GUYMMHOQXYZMJQ-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CCNc1cccc(C)c1
- Molecular Weight1
- 135.21
- CAS
- 102-27-2
- Other Names
-
- N-Ethyl-3-methylaniline
- N-Ethyl-3-methylbenzenamine
- N-Ethyl-N-(3-methylphenyl)amine
- N-Ethyl-m-toluidine
- N-Ethyl-meta-toluidine
- NSC 8624
- m-Methyl-N-ethylaniline
- m-Toluidine, N-ethyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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.
- I : Polar retention indices.
- 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 | 0.4524 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5370.00 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 217.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.50 ± 3.80 | kJ/mol | NIST |
| ΔfH°liquid | -29.50 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 17.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [60.00; 60.00] | kJ/mol |
|
| ΔvapH° | 60.00 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 60.00 | kJ/mol | NIST |
| ΔvapH° | 60.00 ± 3.00 | kJ/mol | NIST |
| IE | 7.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.427 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1200.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| I | [1802.00; 1802.00] |
|
|
| I | 1802.00 | NIST | |
| I | 1802.00 | NIST | |
| Tboil | 494.20 | K | NIST |
| Tc | 719.26 | K | Relay (1.0) Calculated Property |
| Tfus | 247.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.77; 333.12] | J/mol×K | [487.15; 697.80] |
|
| Cp,gas | 260.77 | J/mol×K | 487.15 | Joback Calculated Property |
| Cp,gas | 274.66 | J/mol×K | 522.26 | Joback Calculated Property |
| Cp,gas | 287.77 | J/mol×K | 557.37 | Joback Calculated Property |
| Cp,gas | 300.15 | J/mol×K | 592.47 | Joback Calculated Property |
| Cp,gas | 311.81 | J/mol×K | 627.58 | Joback Calculated Property |
| Cp,gas | 322.79 | J/mol×K | 662.69 | Joback Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 697.80 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [370.32; 524.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48193e+01 | |||
| Coefficient B | -4.24029e+03 | |||
| Coefficient C | -7.85240e+01 | |||
| Temperature range, min. | 370.32 | |||
| Temperature range, max. | 524.50 | |||
| Pvap | 1.33 | kPa | 370.32 | Calculated Property |
| Pvap | 2.98 | kPa | 387.45 | Calculated Property |
| Pvap | 6.14 | kPa | 404.58 | Calculated Property |
| Pvap | 11.75 | kPa | 421.71 | Calculated Property |
| Pvap | 21.14 | kPa | 438.84 | Calculated Property |
| Pvap | 36.06 | kPa | 455.98 | Calculated Property |
| Pvap | 58.73 | kPa | 473.11 | Calculated Property |
| Pvap | 91.85 | kPa | 490.24 | Calculated Property |
| Pvap | 138.60 | kPa | 507.37 | Calculated Property |
| Pvap | 202.63 | kPa | 524.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N-ethyl-3-methyl-.
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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