- InChI
- InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
- InChI Key
- UFFBMTHBGFGIHF-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- Cc1cccc(C)c1N
- Molecular Weight1
- 121.18
- CAS
- 87-62-7
- Other Names
-
- 1-Amino-2,6-dimethylbenzene
- 2,6-Dimethylaniline
- 2,6-Dimethylbenzenamine
- 2,6-Dimethylphenylamine
- 2,6-Xylylamine
- 2-Amino-1,3-dimethylbenzene
- 2-Amino-1,3-xylene
- 2-Amino-m-xylene
- Aniline, 2,6-dimethyl-
- Benzenamine, 2,6-dimethyl-
- NCI-C56188
- NSC 7098
- o-Xylidine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 | [0.4273; 0.4710] |
|
|
| ω | 0.4273 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4710 | KDB | |
| PAff | 901.70 | kJ/mol | NIST |
| BasG | 869.80 | kJ/mol | NIST |
| ΔfG° | 176.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.60 ± 0.30 | kJ/mol | NIST |
| IE | [7.30; 7.78] | eV |
|
| IE | 7.33 ± 0.05 | eV | NIST |
| IE | 7.30 ± 0.02 | eV | NIST |
| IE | 7.36 | eV | NIST |
| IE | 7.50 ± 0.10 | eV | NIST |
| IE | 7.78 ± 0.05 | eV | NIST |
| log10WS | -1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | [4199.92; 4200.00] | kPa |
|
| Pc | 4199.92 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 4200.00 | kPa | KDB |
| Inp | [196.15; 1179.00] |
|
|
| Inp | 1135.52 | NIST | |
| Inp | 1136.26 | NIST | |
| Inp | 1137.15 | NIST | |
| Inp | 1136.34 | NIST | |
| Inp | 1137.93 | NIST | |
| Inp | 1143.41 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1140.70 | NIST | |
| Inp | 1136.20 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1168.19 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | Outlier 196.15 | NIST | |
| Inp | 1168.19 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | Outlier 196.15 | NIST | |
| Ip | 1940.00 | NIST | |
| S°liquid | 251.35 | J/mol×K | NIST |
| Tboil | [488.00; 491.05] | K |
|
| Tboil | 491.05 | K | KDB |
| Tboil | 488.00 ± 1.00 | K | NIST |
| Tc | [722.00; 722.00] | K |
|
| Tc | 722.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 722.00 | K | KDB |
| Tfus | [284.15; 284.60] | K |
|
| Tfus | 284.25 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 284.15 | K | KDB |
| Tfus | 284.60 | K | NIST |
| Tfus | 284.16 ± 0.30 | K | NIST |
| Tfus | 284.40 ± 1.00 | K | NIST |
| Vc | 0.402 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 238.86 | J/mol×K | 298.15 | NIST |
| ΔvapH | [48.50; 59.20] | kJ/mol | [306.00; 431.50] |
|
| ΔvapH | 59.20 ± 0.30 | kJ/mol | 306.00 | NIST |
| ΔvapH | 50.70 | kJ/mol | 404.00 | NIST |
| ΔvapH | 48.50 | kJ/mol | 431.50 | NIST |
| ρl | 981.57 | kg/m3 | 293.10 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 487.20 | K | 98.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.41; 343.42] | 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 | -3.20000e+00 | |||
| Coefficient B | 6.27840e-01 | |||
| Coefficient C | -3.51920e-04 | |||
| Coefficient D | 7.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 178.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 301.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 317.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 331.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [365.52; 517.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48251e+01 | |||
| Coefficient B | -4.19647e+03 | |||
| Coefficient C | -7.68560e+01 | |||
| Temperature range, min. | 365.52 | |||
| Temperature range, max. | 517.96 | |||
| Pvap | 1.33 | kPa | 365.52 | Calculated Property |
| Pvap | 2.98 | kPa | 382.46 | Calculated Property |
| Pvap | 6.14 | kPa | 399.40 | Calculated Property |
| Pvap | 11.75 | kPa | 416.33 | Calculated Property |
| Pvap | 21.14 | kPa | 433.27 | Calculated Property |
| Pvap | 36.06 | kPa | 450.21 | Calculated Property |
| Pvap | 58.73 | kPa | 467.15 | Calculated Property |
| Pvap | 91.85 | kPa | 484.08 | Calculated Property |
| Pvap | 138.61 | kPa | 501.02 | Calculated Property |
| Pvap | 202.67 | kPa | 517.96 | Calculated Property |
| Pvap | [2.38; 100.63] | kPa | [373.15; 491.15] |
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 | 2.29985e+01 | |||
| Coefficient B | -6.15563e+03 | |||
| Coefficient C | -9.61781e-01 | |||
| Coefficient D | 4.39184e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 373.15 | |||
| Temperature range, max. | 491.15 | |||
| Pvap | 2.38 | kPa | 373.15 | Calculated Property |
| Pvap | 4.05 | kPa | 386.26 | Calculated Property |
| Pvap | 6.65 | kPa | 399.37 | Calculated Property |
| Pvap | 10.57 | kPa | 412.48 | Calculated Property |
| Pvap | 16.32 | kPa | 425.59 | Calculated Property |
| Pvap | 24.54 | kPa | 438.71 | Calculated Property |
| Pvap | 36.03 | kPa | 451.82 | Calculated Property |
| Pvap | 51.74 | kPa | 464.93 | Calculated Property |
| Pvap | 72.83 | kPa | 478.04 | Calculated Property |
| Pvap | 100.63 | kPa | 491.15 | Calculated Property |
| Pvap | [0.13; 99.77] | kPa | [317.00; 491.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54285e+01 | |||
| Coefficient B | -4.96842e+03 | |||
| Coefficient C | -3.21510e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 317.00 | |||
| Temperature range, max. | 491.10 | |||
| Pvap | 0.13 | kPa | 317.00 | Calculated Property |
| Pvap | 0.40 | kPa | 336.34 | Calculated Property |
| Pvap | 1.07 | kPa | 355.69 | Calculated Property |
| Pvap | 2.56 | kPa | 375.03 | Calculated Property |
| Pvap | 5.54 | kPa | 394.38 | Calculated Property |
| Pvap | 11.11 | kPa | 413.72 | Calculated Property |
| Pvap | 20.82 | kPa | 433.07 | Calculated Property |
| Pvap | 36.83 | kPa | 452.41 | Calculated Property |
| Pvap | 61.96 | kPa | 471.76 | Calculated Property |
| Pvap | 99.77 | kPa | 491.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Xylidine.
Sources
- KDB Vapor Pressure Data
- 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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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