- InChI
- InChI=1S/C9H13N/c1-7-4-5-9(10-3)6-8(7)2/h4-6,10H,1-3H3
- InChI Key
- XXABKSVWHJDSNO-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CNc1ccc(C)c(C)c1
- Molecular Weight1
- 135.21
- 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).
- 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 | 0.4762 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| I | [1853.20; 1853.20] |
|
|
| I | 1853.20 | NIST | |
| I | 1853.20 | NIST | |
| Tboil | 504.22 | K | Relay (1.0) Calculated Property |
| Tc | 742.82 | K | Relay (1.0) Calculated Property |
| Tfus | 276.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.43; 395.93] | 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 | -1.18100e+01 | |||
| Coefficient B | 7.37160e-01 | |||
| Coefficient C | -4.11520e-04 | |||
| Coefficient D | 8.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 270.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 324.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 346.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 365.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 381.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 395.93 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-Methyl-3,4-xylidine.
Sources
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