- InChI
- InChI=1S/C10H15N/c1-8(2)11-10-7-5-4-6-9(10)3/h4-8,11H,1-3H3
- InChI Key
- NKVWOHIEVZXVGP-UHFFFAOYSA-N
- Formula
- C10H15N
- SMILES
- Cc1ccccc1NC(C)C
- Molecular Weight1
- 149.23
- CAS
- 2100-43-8
- 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 | 0.4497 | Relay (1.0) Calculated Property | |
| ΔfG° | 223.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.815 | Crippen Calculated Property | |
| McVol | 137.980 | ml/mol | McGowan Calculated Property |
| Pc | 2950.48 | kPa | Joback Calculated Property |
| Tboil | 491.68 | K | Relay (1.0) Calculated Property |
| Tc | 705.47 | K | Relay (1.0) Calculated Property |
| Tfus | 267.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.78; 451.10] | 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 | -2.87000e+01 | |||
| Coefficient B | 8.97560e-01 | |||
| Coefficient C | -5.36160e-04 | |||
| Coefficient D | 1.18400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 395.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to O-toluidine, n-isopropyl-.
Sources
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