- InChI
- InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
- InChI Key
- LPAGFVYQRIESJQ-UHFFFAOYSA-N
- Formula
- C8H9N
- SMILES
- c1ccc2c(c1)CCN2
- Molecular Weight1
- 119.16
- CAS
- 496-15-1
- Other Names
-
- 1-Azaindan
- 2,3-Dihydro-1H-Indole
- 2,3-Dihydroindole
- Dihydroindole
- Indole, 2,3-dihydro-
- Indolene
- Indoline
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| PAff | 957.10 | kJ/mol | NIST |
| BasG | 926.30 | kJ/mol | NIST |
| ΔfG° | 275.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 147.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.90 ± 1.70 | kJ/mol | NIST |
| IE | 7.15 ± 0.02 | eV | NIST |
| log10WS | [-1.04; -1.04] |
|
|
| log10WS | -1.04 | Aq. Sol... | |
| log10WS | -1.04 | Estimat... | |
| logPoct/wat | 1.655 | Crippen Calculated Property | |
| McVol | 98.940 | ml/mol | McGowan Calculated Property |
| Pc | 4553.06 | kPa | Joback Calculated Property |
| Inp | [204.74; 1195.80] |
|
|
| Inp | 1195.80 | NIST | |
| Inp | 1195.80 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 204.74 | NIST | |
| Inp | 204.74 | NIST | |
| Tboil | [493.70; 503.00] | K |
|
| Tboil | 493.70 | K | NIST |
| Tboil | 502.20 | K | NIST |
| Tboil | 503.00 ± 4.00 | K | NIST |
| Tc | 711.60 | K | Joback Calculated Property |
| Tfus | 346.07 | K | Joback Calculated Property |
| Vc | 0.370 | m3/kmol | Joback 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.70 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole, 2,3-dihydro-.
Sources
- Crippen Method
- Extraction of nitrogen compounds from diesel fuel using imidazolium- and pyridinium- based ionic liquids: Experiments, COSMO-RS prediction and NRTL correlation
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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