- InChI
- InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
- InChI Key
- GWVMLCQWXVFZCN-UHFFFAOYSA-N
- Formula
- C8H9N
- SMILES
- c1ccc2c(c1)CNC2
- Molecular Weight1
- 119.16
- CAS
- 496-12-8
- Other Names
-
- Isoindoline
- 2-Azaindan
- 2,3-dihydro-1H-isoindole
- 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 | 0.3862 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 123.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.290 | Crippen Calculated Property | |
| McVol | 98.940 | ml/mol | McGowan Calculated Property |
| Pc | 4553.06 | kPa | Joback Calculated Property |
| Tboil | 491.52 | K | Relay (1.0) Calculated Property |
| Tc | 726.47 | K | Relay (1.0) Calculated Property |
| Tfus | 348.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.35; 264.02] | J/mol×K | [474.06; 711.60] | 
|
| Cp,gas | 197.35 | J/mol×K | 474.06 | Joback Calculated Property |
| Cp,gas | 210.70 | J/mol×K | 513.65 | Joback Calculated Property |
| Cp,gas | 223.07 | J/mol×K | 553.24 | Joback Calculated Property |
| Cp,gas | 234.52 | J/mol×K | 592.83 | Joback Calculated Property |
| Cp,gas | 245.11 | J/mol×K | 632.42 | Joback Calculated Property |
| Cp,gas | 254.92 | J/mol×K | 672.01 | Joback Calculated Property |
| Cp,gas | 264.02 | J/mol×K | 711.60 | Joback Calculated Property |
Similar Compounds
![Ethanol, 2-[(phenylmethyl)amino]-.](data:image/png;base64,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)
Find more compounds similar to 1H-Isoindole, 2,3-dihydro-.
Sources
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