- InChI
- InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3
- InChI Key
- PXNRCZQMDSDSHJ-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- Cc1ccc(CN)cc1C
- Molecular Weight1
- 135.21
- Other Names
-
- 3,4-Dimethylbenzylamine
- Benzylamine, 3,4-dimethyl-
- 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).
- 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 | 0.4797 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.762 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 501.35 | K | Relay (1.0) Calculated Property |
| Tc | 721.80 | K | Relay (1.0) Calculated Property |
| Tfus | 272.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.62; 395.01] | 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 | -4.10900e+00 | |||
| Coefficient B | 7.22840e-01 | |||
| Coefficient C | -4.06320e-04 | |||
| Coefficient D | 8.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 164.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 324.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 346.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 365.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 381.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 395.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanamine, 3,4-dimethyl-.
Sources
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