- InChI
- InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
- InChI Key
- COCFIBRMFPWUDW-UHFFFAOYSA-N
- Formula
- C10H10N2
- SMILES
- Cc1cc(N)c2ccccc2n1
- Molecular Weight1
- 158.20
- CAS
- 6628-04-2
- Other Names
-
- 4-Amino-2-methylquinoline
- 4-Quinolinamine, 2-methyl-
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.5196 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 140.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 115.30 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 77.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 128.500 | ml/mol | McGowan Calculated Property |
| Pc | 4096.55 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | [606.00; 606.20] | K |
|
| Tboil | 606.20 | K | NIST |
| Tboil | 606.00 | K | NIST |
| Tc | 862.40 | K | Relay (1.0) Calculated Property |
| Tfus | 442.50 ± 0.50 | K | NIST |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 112.10 ± 0.80 | kJ/mol | 362.50 | NIST |
Similar Compounds
Find more compounds similar to 4-Aminoquinaldine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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