- InChI
- InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
- InChI Key
- FBGJJTQNZVNEQU-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CNc1cccc(C)c1
- Molecular Weight1
- 121.18
- CAS
- 696-44-6
- Other Names
-
- Aniline, N,m-dimethyl-
- N,3-Dimethylaniline
- N,3-Dimethylbenzenamine
- N-Methyl-3-methylaniline
- m,N-Dimethylaniline
- m-Toluidine, N-methyl-
- 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).
- Ip : 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 | 0.4351 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.26; 7.50] | eV |
|
| IE | 7.26 | eV | NIST |
| IE | 7.50 ± 0.10 | eV | NIST |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.037 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Ip | [1810.70; 1811.40] |
|
|
| Ip | 1811.40 | NIST | |
| Ip | 1810.70 | NIST | |
| Tboil | 479.70 | K | NIST |
| Tc | 722.48 | K | Relay (1.0) Calculated Property |
| Tfus | 235.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.67; 347.38] | 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 | -2.52000e+01 | |||
| Coefficient B | 7.01640e-01 | |||
| Coefficient C | -4.24160e-04 | |||
| Coefficient D | 9.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 174.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [358.72; 509.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47928e+01 | |||
| Coefficient B | -4.12279e+03 | |||
| Coefficient C | -7.44930e+01 | |||
| Temperature range, min. | 358.72 | |||
| Temperature range, max. | 509.32 | |||
| Pvap | 1.33 | kPa | 358.72 | Calculated Property |
| Pvap | 2.99 | kPa | 375.45 | Calculated Property |
| Pvap | 6.14 | kPa | 392.19 | Calculated Property |
| Pvap | 11.76 | kPa | 408.92 | Calculated Property |
| Pvap | 21.17 | kPa | 425.65 | Calculated Property |
| Pvap | 36.10 | kPa | 442.39 | Calculated Property |
| Pvap | 58.79 | kPa | 459.12 | Calculated Property |
| Pvap | 91.91 | kPa | 475.85 | Calculated Property |
| Pvap | 138.65 | kPa | 492.59 | Calculated Property |
| Pvap | 202.64 | kPa | 509.32 | Calculated Property |
Similar Compounds
Find more compounds similar to N-METHYL-M-TOLUIDINE.
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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