- InChI
- InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
- InChI Key
- GYVGXEWAOAAJEU-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- Cc1ccc(N(C)C)cc1
- Molecular Weight1
- 135.21
- CAS
- 99-97-8
- Other Names
-
- 1-(Dimethylamino)-4-methylbenzene
- 4-DIMETHYLAMINOTOLUENE
- 4-METHYL-N,N-DIMETHYLANILINE
- Benzeneamine,N,N,4-trimethyl-
- Dimethyl-p-toluidine
- Dimetil-p-toluidina
- N,N,4-Trimethylaniline
- N,N,4-Trimethylbenzenamine
- N,N-Dimethyl-4-methylaniline
- N,N-Dimethyl-4-toluidine
- N,N-Dimethyl-p-toluidine
- N,N-Dimethyl-p-tolylamine
- NSC 1785
- P-METHYLDIMETHYLANILINE
- p,N,N-trimethylaniline
- p-(Dimethylamino)toluene
- p-Methyl-N,N-dimethylaniline
- p-Toluidine, N,N-dimethyl-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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.
- 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 | 0.4301 | Relay (1.0) Calculated Property | |
| PAff | 950.00 | kJ/mol | NIST |
| BasG | 918.10 | kJ/mol | NIST |
| ΔcH°liquid | -5411.20 ± 2.40 | kJ/mol | NIST |
| ΔfG° | 238.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 68.90 ± 7.40 | kJ/mol | NIST |
| ΔfH°liquid | 11.70 ± 2.70 | kJ/mol | NIST |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [57.20; 57.20] | kJ/mol |
|
| ΔvapH° | 57.20 ± 6.90 | kJ/mol | NIST |
| ΔvapH° | 57.20 | kJ/mol | NIST |
| IE | [6.90; 7.48] | eV |
|
| IE | 6.93 ± 0.02 | eV | NIST |
| IE | 6.93 | eV | NIST |
| IE | 6.95 ± 0.05 | eV | NIST |
| IE | 6.90 ± 0.10 | eV | NIST |
| IE | 6.95 | eV | NIST |
| IE | 7.33 | eV | NIST |
| IE | 7.27 | eV | NIST |
| IE | 7.48 | eV | NIST |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.061 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | [1160.40; 1163.00] |
|
|
| Inp | 1160.40 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1160.40 | NIST | |
| I | [1642.60; 1673.90] |
|
|
| I | 1642.60 | NIST | |
| I | 1673.90 | NIST | |
| I | 1673.90 | NIST | |
| Tboil | [483.15; 484.30] | K |
|
| Tboil | 484.20 | K | NIST |
| Tboil | 483.15 ± 2.00 | K | NIST |
| Tboil | 484.30 ± 1.00 | K | NIST |
| Tc | 688.47 | K | Relay (1.0) Calculated Property |
| Tfus | 279.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 60.70 | kJ/mol | 403.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.21; 400.11] | 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 | -3.55900e+01 | |||
| Coefficient B | 8.44360e-01 | |||
| Coefficient C | -5.42560e-04 | |||
| Coefficient D | 1.33900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 303.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 400.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.18; 102.07] | kPa | [323.15; 483.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.18799e+02 | |||
| Coefficient B | -1.10023e+04 | |||
| Coefficient C | -1.51292e+01 | |||
| Coefficient D | 9.00408e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 323.15 | |||
| Temperature range, max. | 483.15 | |||
| Pvap | 0.18 | kPa | 323.15 | Calculated Property |
| Pvap | 0.52 | kPa | 340.93 | Calculated Property |
| Pvap | 1.33 | kPa | 358.71 | Calculated Property |
| Pvap | 3.07 | kPa | 376.48 | Calculated Property |
| Pvap | 6.46 | kPa | 394.26 | Calculated Property |
| Pvap | 12.57 | kPa | 412.04 | Calculated Property |
| Pvap | 22.90 | kPa | 429.82 | Calculated Property |
| Pvap | 39.46 | kPa | 447.59 | Calculated Property |
| Pvap | 64.79 | kPa | 465.37 | Calculated Property |
| Pvap | 102.07 | kPa | 483.15 | Calculated Property |
| Pvap | [0.14; 99.08] | kPa | [323.30; 482.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.31632e+01 | |||
| Coefficient B | -3.14131e+03 | |||
| Coefficient C | -1.16036e+02 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 323.30 | |||
| Temperature range, max. | 482.70 | |||
| Pvap | 0.14 | kPa | 323.30 | Calculated Property |
| Pvap | 0.45 | kPa | 341.01 | Calculated Property |
| Pvap | 1.25 | kPa | 358.72 | Calculated Property |
| Pvap | 3.00 | kPa | 376.43 | Calculated Property |
| Pvap | 6.47 | kPa | 394.14 | Calculated Property |
| Pvap | 12.73 | kPa | 411.86 | Calculated Property |
| Pvap | 23.20 | kPa | 429.57 | Calculated Property |
| Pvap | 39.64 | kPa | 447.28 | Calculated Property |
| Pvap | 64.14 | kPa | 464.99 | Calculated Property |
| Pvap | 99.08 | kPa | 482.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N,N,4-trimethyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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