- InChI
- InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
- InChI Key
- JDEJGVSZUIJWBM-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- Cc1ccccc1N(C)C
- Molecular Weight1
- 135.21
- CAS
- 609-72-3
- Other Names
-
- 2,N,N-Trimethylaniline
- 2-Methyl-N,N-dimethylaniline
- Benzene, 1-(dimethylamino)-2-methyl-
- Benzeneamine,N,N,2-trimethyl-
- Dimethyl-o-toluidine
- N,N'-dimethyl-o-toluidine
- N,N,2-TRIMETHYLANILINE
- N,N,2-Trimethylbenzenamine
- N,N-DIMETHYL-O-TOLUIDINE
- N,N-Dimethyl-2-methylaniline
- NSC 1784
- O-METHYLDIMETHYLANILINE
- o-Toluidine, N,N-dimethyl-
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| PAff | 951.80 | kJ/mol | NIST |
| BasG | 925.30 | kJ/mol | NIST |
| ΔfG° | 238.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.61 | kJ/mol | Joback Calculated Property |
| IE | [7.37; 7.92] | eV |
|
| IE | 7.42 ± 0.02 | eV | NIST |
| IE | 7.40 ± 0.02 | eV | NIST |
| IE | 7.44 | eV | NIST |
| IE | 7.37 | eV | NIST |
| IE | 7.92 | eV | NIST |
| IE | 7.92 | eV | NIST |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 2.061 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | [3120.00; 3120.81] | kPa |
|
| Pc | 3120.00 ± 91.19 | kPa | NIST |
| Pc | 3120.81 ± 101.32 | kPa | NIST |
| Pc | 3120.81 ± 101.32 | kPa | NIST |
| Inp | 1164.60 | NIST | |
| Tboil | [458.45; 458.65] | K |
|
| Tboil | 458.50 | K | NIST |
| Tboil | 458.45 ± 0.35 | K | NIST |
| Tboil | 458.45 ± 0.30 | K | NIST |
| Tboil | 458.65 ± 0.50 | K | NIST |
| Tc | [667.80; 667.95] | K |
|
| Tc | 667.80 ± 2.50 | K | NIST |
| Tc | 667.95 ± 1.00 | K | NIST |
| Tc | 667.95 ± 1.00 | K | NIST |
| Tfus | [211.85; 213.15] | K |
|
| Tfus | 213.15 ± 0.70 | K | NIST |
| Tfus | 211.85 ± 0.70 | K | NIST |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.45; 322.41] | J/mol×K | [449.42; 655.29] |
|
| Cp,gas | 246.45 | J/mol×K | 449.42 | Joback Calculated Property |
| Cp,gas | 261.05 | J/mol×K | 483.73 | Joback Calculated Property |
| Cp,gas | 274.83 | J/mol×K | 518.04 | Joback Calculated Property |
| Cp,gas | 287.83 | J/mol×K | 552.35 | Joback Calculated Property |
| Cp,gas | 300.07 | J/mol×K | 586.67 | Joback Calculated Property |
| Cp,gas | 311.58 | J/mol×K | 620.98 | Joback Calculated Property |
| Cp,gas | 322.41 | J/mol×K | 655.29 | Joback Calculated Property |
| ΔvapH | 52.40 | kJ/mol | 379.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.28; 487.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45470e+01 | |||
| Coefficient B | -3.83224e+03 | |||
| Coefficient C | -7.25250e+01 | |||
| Temperature range, min. | 341.28 | |||
| Temperature range, max. | 487.47 | |||
| Pvap | 1.33 | kPa | 341.28 | Calculated Property |
| Pvap | 3.01 | kPa | 357.52 | Calculated Property |
| Pvap | 6.21 | kPa | 373.77 | Calculated Property |
| Pvap | 11.90 | kPa | 390.01 | Calculated Property |
| Pvap | 21.41 | kPa | 406.25 | Calculated Property |
| Pvap | 36.49 | kPa | 422.50 | Calculated Property |
| Pvap | 59.30 | kPa | 438.74 | Calculated Property |
| Pvap | 92.48 | kPa | 454.98 | Calculated Property |
| Pvap | 139.11 | kPa | 471.23 | Calculated Property |
| Pvap | 202.66 | kPa | 487.47 | Calculated Property |
| Pvap | [0.13; 101.45] | kPa | [301.15; 458.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.36661e+02 | |||
| Coefficient B | -1.11966e+04 | |||
| Coefficient C | -1.79824e+01 | |||
| Coefficient D | 1.22854e-05 | |||
| Temperature range, min. | 301.15 | |||
| Temperature range, max. | 458.15 | |||
| Pvap | 0.13 | kPa | 301.15 | Calculated Property |
| Pvap | 0.41 | kPa | 318.59 | Calculated Property |
| Pvap | 1.13 | kPa | 336.04 | Calculated Property |
| Pvap | 2.73 | kPa | 353.48 | Calculated Property |
| Pvap | 5.94 | kPa | 370.93 | Calculated Property |
| Pvap | 11.87 | kPa | 388.37 | Calculated Property |
| Pvap | 22.06 | kPa | 405.82 | Calculated Property |
| Pvap | 38.54 | kPa | 423.26 | Calculated Property |
| Pvap | 63.92 | kPa | 440.71 | Calculated Property |
| Pvap | 101.45 | kPa | 458.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N,N,2-trimethyl-.
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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